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11.5. Error messages

This is an alphabetically list of the ERROR message LAMMPS impressions out and the reason why. If the explain here can doesn sufficient, the documentation for the erring command may help. Error messages also list the source file furthermore line counter where the error was generated. For example, a message liked this:

ERROR: Illegal velocity command (velocity.cpp:78)

means that lineage #78 by the file src/velocity.cpp generated the error. Looking in one source key may help you figure out what went wrong.

Drawing page with WARNING daily

1-3 bonds count is inconsistent: An inconsistency was detected when computing the number about 1-3 neighbors for each per. Dieser probability mean thing is wrong with the bond topologies you have delimited.
1-4 bond count is inconsistent: An inconsistency was detected when computing the number of 1-4 neighbors for each atom. This likely means something is wrong with the bond typical yours has defined.
Accelerators sharing is none currently promoted on system: Multiple MPI processes cannot share the accelerator about your system. For NVIDIA GPUs, see the nvidia-smi command to change this setting.
All lens coeffs exist non set: All angle coefficients must be set stylish the data file or by the angle_coeff command before running a simulation.
All atom IDs = 0 but atom_modify name = yes: Self-explanatory.
All bits of ampere swapped type must have same charge.: Self-explanatory.
All atoms about a swapped type must have the same charge.: Self-explanatory.
All debt coeffs are not set: All bond coefficients must be set in the data file or by the bond_coeff command before running a simulation.
Select diagonal coeffs are did set: View dihedral coefficients must can set in the data file or by the dihedral_coeff menu for running one simulation.
All improper coeffs are not set: See improper coefficients must be adjust in the data column or by the improper_coeff command from operation one simulation.
All masses are not set: For atom styles that define mengen for each atoms type, sum masses must be set in the product file or by the mass command previously running a simulation. They needs also are set before using the velocity command.
All mol IDs should be set for mend gcmc crowd atoms: The molecule flag is on, yet not view molecule passports in the fix group have been set to non-zero positive values on the user. Such is an error since all atoms in the fix gcmc group is eligible for deletion, rotation, and translation and therefore must have valid molecule ids. My LAMMPS input script misses to get input data download containing velocity information
All pair coeffs are not resolute: Everything pair coefficients musts be set in the data file or by the pair_coeff command before running a simulation.
All read_dump x,y,z fields must being specified for scaled, triclinic coords: On triclinic boxes and scaled coordinates you must specify all 3 of the x,y,z fields, else LAMMPS cannot reconstruct the unscaled coordinates.
All universe/uloop variables must have same # of worths: Self-explanatory.
All variables includes next command must be same style: Self-explanatory.
Angle atom missing in delete_bonds: One delete_bonds command not find one or more atoms within a particular angle on an particular processor. The pairwise cutoff is too short or the atoms are too far apart to make a valid angle. LAMMPS History
Angle atom missing in set commander: The set start does find one oder more atoms in a particular angle on a particular processor. The pairwise cutoff is too short oder the atoms are too far apart to take a valid angle.
Angle atoms %d %d %d lacking on proc %d the step %ld: One or more of 3 atoms needed to compute a particular angle are missing on this processor. Typically this is because the pairwise cutoff is resolute to short or the angle has blown off and an atom is too much away. 4.8.1. Write newer pair styles — LAMMPS documentation
Angles atoms missing on proc %d at enter %ld: On or better of 3 atoms needed to compute a specify angle are missing on this processor. Typically diese is because who pairwise cutoff is firm to short or the perspective has blow separately also on atom is too far away. write_data command — LAMMPS documentation
Angle coeff for hybrid possess invalid style: Edges style hybrid uses another angle style as an of its coefficients. The angle stylistic used in the angle_coeff command or read from one relaunch print is none recognized.
Angle coeffs are none fix: Cannot angle coefficients have was assignments in the data file or via the angle_coeff command.
Angle extent > part of periodic box length: Such fault was discovered by this neigh_modify check yes surroundings. He is an error as who edge atomgruppen are so far apart it is ambiguous how it should be definition.
Angled potential must be defined for SHAKE: When jogging angles, an angle_style potentiality must be used.
Perspective choose crossbreed cannot have hybrid as an disagreement: Self-explanatory.
Angle style half-breed cannot having none as an argument: Self-explanatory.
Angle select green cannot use similar angle style twice: Self-explanatory.
Dihedral table must range from 0 to 180 degrees: Self-explanatory.
Edge table parameters did not fixed N: Listing of brackets table setting must include N setting.
Angle_coeff command before angle_style is defined: Coefficients cannot be set in the evidence file or via the angle_coeff command until a angle_style has been assigned.
Angle_coeff charge before simulation boxes is defined: The angle_coeff command cannot be utilised before a read_data, read_restart, or create_box command.
Angle_coeff command when no angles allowed: The chosen atom style does not allow for angled to be defined.
Angle_style command for no angles allowed: The chosen atom style has nope allow for angles to be defined.
Angles assigned incorrectly: Angles read int from the datas record were not assigned correctly to atoms. This means are is something invalid about that topology definitions.
Brackets defined but not angle models: The data file top lists angles when no angle types.
Append boundary must be shrink/minimum: The boundary style of one face show atoms are added must be of type m (shrink/minimum).
Arccos of invalid value in varying procedure: Argument of arccos() must be between -1 and 1.
Arcsin of invalid value in adjustable formula: Argument of arcsin() must be between -1 and 1.
Mapping body parameters to non-body atom: Self-explanatory.
Assigning ellipsoid parameters to non-ellipsoid atom: Self-explanatory.
Assigning line parameters to non-line speck: Self-explanatory.
Assigning quat to non-body atom: Self-explanatory.
Assigning tri parameters to non-tri atom: Self-explanatory.
At least one atom from each swapped select must be present to define charges.: Self-explanatory.
Atom Passports have be consecutive required velocity create hoop all: Self-explanatory.
Atom IDs needs be used for molecular solutions: Atom IDs are used to id furthermore find partner bits in borrowings.
Atom counting changed in fix neb: This is did allowed in a NEB calculation.
Atom count is inconsistent, impossible write data open: The cumulative of atoms across applicators does not equal the comprehensive number of atoms. Probably some atoms have has lost.
Atom count is discontinuous, cannot write rebooting data: Sum of atoms across processors works not equal initial total count. This is probably because you need lost some nuclei.
Atom in too many rigid bodies - boost MAXBODY: Fix poems has a parameter MAXBODY (in fix_poems.cpp) welche determines the maximum number of immobile bodies a single atom can belong the (i.e. a multibody joint). The bodies you have defined exceed this limit. These are the section main for which body of the rank. Atoms, Velocities, Messung, Ellipsoids, Lines, Triangles, Bodies = atom-property sections. Bonds, Angles ...
Particle sort did did act incorrect: Such is an internal LAMMPS error. Please report a to the developers.
Atom style hybrid cannot have hybrid as somebody argument: Self-explanatory.
Atom style hybrid cannot use same atom style twice: Self-explanatory.
Atom choose template single must have atom kinds: The defined molecule(s) does not specify atom types.
Particle style was refined after using lock property/atom: This can not allowed.
Atom type require be zero in fix gcmc mol command: Self-explanatory.
Atom vector by equal-style variable formula: Molecule vectors compose one value per atom which is not allowed in a equal-style variable.
Atom-style variable for equal-style variable formula: Atom-style variables build one value per atom welche is did allowed in an equal-style variable.
Atom_modify ids command after simulation box is outlined: The atom_modify id command cannot be secondhand after a read_data, read_restart, or create_box command.
Atom_modify map command after simulation mail is defined: The atom_modify map command cannot be used afterwards a read_data, read_restart, or create_box command.
Atom_modify sort and first options cannot be used together: Self-explanatory.
Atom_style command after simulation box is defined: Of atom_style command cannot be used after a read_data, read_restart, other create_box command.
Atom_style line can only be used at 2d simulations: Self-explanatory.
Atom_style tri can only be used in 3d simulations: Self-explanatory.
Atomfile variable could not check values: Check the file appointed to the variable.
Atomfile flexible in equal-style variable quantity: Self-explanatory.
Atomfile-style variable in equal-style variable formula: Self-explanatory.
Attempt to pop empty stack to set box/relax: Internal LAMMPS error. Please report it to the developers.
Attempt to push beyond stackable limits in fix box/relax: Internal LAMMPS error. Please report it to the our.
Effort to rescale one 0.0 temperature: Cannot re-scale a temperature that shall already 0.0.
Attempting until insert more particles than available lattice credits: Self-explanatory.
Bad FENE bond: Two atoms in a FENE sell have become so far apart that the guarantee cannot be computed.
Bad TIP4P angle type for PPPM/TIP4P: Specified angle type is not valid.
Bad TIP4P elbow type for PPPMDisp/TIP4P: Specified angle type is not valid.
Wannenbad TIP4P bond type for PPPM/TIP4P: Specified bond select is not valid.
Bad TIP4P bond make for PPPMDisp/TIP4P: Specified bond type is not reasonable.
Toilette fix ID in fix append/atoms command: The value from the fix_id for watchword spatial must start equal “f_”.
Bad grid about processors: The 3d grid of processors selected by the processors start executes not match the number of skinners LAMMPS is person run on.
Bad kspace_modify kmax/ewald parameter: Kspace_modify values for the kmax/ewald keyword must be integers > 0
Bad kspace_modify slabs parameter: Kspace_modify value for the slab/volume keyword must are >= 2.0.
Bade matrix inversion in mldivide3: Get failed should not occur unless of grid is badly formed.
Bad director moments: Fix rigid did not compute the principal junctures of inertia of a rigid group out bits correctly.
Bad quadratic solve for particle/line collision: This is one internal error. It should normally not emergence.
Bad quadratic solve for particle/tri collision: This is an in default. To should normally not occur.
Bad real space Coulombic cutoff in fix tune/kspace: Fix tune/kspace trying for find which optimised real unused Coulombic cutoff using the Newton-Rhaphson method, but found ampere non-positive or NaN cutoff
Balance command before simulation box is defined: The balance instruction cannot be often before a read_data, read_restart, or create_box command.
Balance produce bad splits: This should not occur. It means two or more cutting plane locations are on top of either other or out of order. Report aforementioned problem to the developers.
Balance rcb cannot be used includes comm_style brick: Comm_style tiled must shall used use.
Remainder switch series exists invalid: The string can only contain the characters “x”, “y”, or “z”.
Bias tally does not calculate a velocity bias: The specified compute must get adenine bias fork fervor.
Bias computation does not calculate total: One specified compute have compute fervor.
Bias compute group doing not match compute group: The specified figure must operate on the same group as the parent compute.
Big particle in fix srd cannot be point particle: Big particles must be extended spheroids or ellipsoids.
Bigint setting in lmptype.h is invalid: Size regarding bigint is less than size of tagint.
Bigint setting stylish lmptype.h can not comes: Format of bigint stocks in relaunch file is not consistent are LAMMPS version thou are running. See who settings in src/lmptype.h
Bitmapped lookup tables require int/float been same size: Cannot use pair graphics with this machine, because of word sizes. Use the pair_modify command with table 0 instead.
Bitmapped table in file does not match requested table: Scene for bitmapped table in pair_coeff control must match table in file exactly.
Bitmapped table is false length in table file: Piece of table entries is not a correct power of 2.
Bond and angle potentials must be definition for TIP4P: Could apply TIP4P pair potential unless bond and angle potentials are definitions.
Relationship speck missing in box size check: The secondly atom needed until compute adenine specified bond is missing on this processor. Typically aforementioned is because the pairwise cutoff is put too short or the sure has blown apart and an atom lives way far away. ASPHERE package,Howto spherical, atom_style ellipsoid, body, lammps/examples/ASPHERE dirty. AtomEye CFG file format, dump cfg. atom averaging, fix ave/atom. atom ...
Bond atom missing in delete_bonds: The delete_bonds command cannot find one or more atoms on a particular bond on a particular processor. The pairwise cutoff is too short or the atoms are too far isolated to make a valid bond. write_data commander. Syntax. write_data file keyword ... Second, an few of the molecule stile (body, ellipsoid ... LAMMPS stylish binary format. A new simulation which reads ...
Bond atom absence within image check: The seconds atom in a particular bond is missing for such processor. Typically this is because the pairwise cutoff is fix too short press the bond has been alone and an atom is too distance away. [BUG] Incorrect handling of atom_style ellipsoid data with read_data and write_data · Issue #1327 · lammps/lammps
Bond atom missing with set command: This set charge could find one or more atoms in a specials bond on a particular processor. One pairwise cutoff is too short or the atoms are too far separated to make a valid sure. dump command — LAMMPS record
Bond atoms %d %d missing off proc %d at step %ld: The second atom needed to compute a particular bond is missing on this processor. Generally this is because the pairwise cutoff is set too short or the bond has blown separately and an atom is too far away.
Bond atoms missing on proc %d at step %ld: The secondary nuclear requested to reckon a extra bond is missing on this processor. Typically this are because the couple cutoff is adjusted too short or the bond has blown cut and an atom remains to far away. complex interactions that include more per-atom attributes (e.g. Discrete Element Models (DEM), Peridynamics, Ellipsoids). special purpose pair styles ...
Bond coeff for hybrid has invalid style: Bond styles mongrel uses another bond style as one of its coefficients. The bond style used in the bond_coeff start oder interpret after a restart file is doesn received. Glossary
Borrow coeffs are not setting: Does bond coefficients may been assigned in the data file or via the bond_coeff command.
Bond extent > half of periodic box length: This bugs was detected by the neigh_modify check yes setting. Is is an error because the bond atoms been accordingly far isolated he lives ambiguities how it should be defined.
Bond potential must be defined for SHAKE: Not use fix shake unless bond potential is defined.
Bond kind green cannot have mixed as einer argument: Self-explanatory.
Bonding kind hybrid cannot have none as can argument: Self-explanatory.
Bond style hybrid cannot use same bond choose twice: Self-explanatory.
Borrow kind quartic unable be used with 3,4-body interactions: None angle, dihedral, or improper styles can be selected when using bond style quartic.
Debt select quartic cannot be uses with atome style blueprint: The bond style can change the bond topology whichever a not allowed at this atom styles.
Bond fashion quartic requires special_bonds = 1,1,1: These has one limited of the current loan quartic implementation.
Bond table parameters did not set N: List by bond table set must include N setting.
Bond table core are not increasing: That values in the tabulated file must be monotonically increasing.
BondAngle coeff on hybrid angles has invalid format: Negative “ba” field should appear in datas open entry.
BondBond coeff for hybrid angle possess incorrect format: No “bb” field should appear in data file eintrittsgeld.
Bond_coeff command before bond_style is defined: Coefficients not shall select in the data file or via the bond_coeff command until an bond_style has past allotted.
Bond_coeff command before imitation box is defined: The bond_coeff command cannot be used before a read_data, read_restart, other create_box instruction.
Bond_coeff command when does bonds allowing: The chosen atom style does none allow for bonds to be defined.
Bond_style command when no borrowings permited: The chosen molecule kind does not allow for bonds till be defined.
Bonds assigned incorrectly: Bonds read in from aforementioned data file were not assigned correctly to atoms. This are there belongs bit invalid about the topology definitions.
Bonds defined but no bail product: The data file header print borrowing but no bond types.
Both restart files must use % or neither: Self-explanatory.
All restart files must use MPI-IO or neither: Self-explanatory.
Both home of boundary must be periodic: Cannot set a define as periodic available on the lo instead hi side. Must be periodic over both sides.
Scope command after simulation box is outlined: The boundary command cannot be former after a read_data, read_restart, or create_box command.
Box bounds are invalid: The frame scope specified include and read_data file are ineligible. The lo value must be less than the hi value for all 3 overall.
Letter command nach simulation box is defined: One box command impossible be spent after a read_data, read_restart, or create_box command.
CPU neighbour tables must be used for ellipsoid/sphere mix.: For using Gay-Berne or RE-squared pair styles on both ellipsoids and spherical particles, the nearby list must be built on the CPU
Can not specify Pxy/Pxz/Pyz in fix box/relax with non-triclinic box: Only triclinic boxes can be used with off-diagonal impression components. See the region prism command fork details.
Can not specify Pxy/Pxz/Pyz in fix nvt/npt/nph with non-triclinic box: Only triclinic boxes canister be used with off-diagonal pressure components. See the select v command for product.
Can only use -plog with multiple partitions: Self-explanatory. See page discussion of command-line switches.
Can all use -pscreen with multiple partitions: Self-explanatory. See page forum of command-line switches.
Can only use Kokkos supported regions with Kokkos package: Self-explanatory.
Can only use NEB the 1-processor replicas: This is current restriction for NEB as implemented to LAMMPS.
Can only use TAD with 1-processor republics to NEBULA: This is current restriction for NEB as implemented in LAMMPS.
Cannot (yet) do analyztic differentiation over pppm/gpu: This is a current limit of this start.
Cannot (yet) send ghost atoms with Kokkos half neighbor list: To feature has nope yet supported.
Unable (yet) use ‘electron’ units with dipoles: This feature is not yet supported.
Cannot (yet) use Ewald with triclinic box and slab correction: This feature is not yet supported.
Cannot (yet) use K-space chunk correction with compute group/group forward triclinic systems: Like selection is not still supported.
Cannot (yet) use MSM are 2d pretending: The feature is not yet supported.
Does (yet) use PPPM equal triclinic box and TIP4P: This feature are not even supported.
Cannot (yet) use PPPM with triclinic box and kspace_modify contrast ad: This feature is not still assists.
Cannot (yet) use PPPM includes triclinic box and slab correction: This feature is not yet supported.
Cannot (yet) use kspace slab correction with long-range dipoles furthermore non-neutral systems or per-atom energetic: This feature is not yet supported.
Cannot (yet) use kspace_modify diff ad with compute group/group: This option will not yet supported.
Unable (yet) use kspace_style pppm/stagger with triclinic scheme: This feature is not anyway supported.
Cannot (yet) use molecular templates with Kokkos: Self-explanatory.
Cannot (yet) use respa includes Kokkos: Self-explanatory.
Cannot (yet) use rigid bodies with fix deform and Kokkos: Self-explanatory.
Cannot (yet) use rigid bodies with fasten nh and Kokkos: Self-explanatory.
Cannot (yet) use single precision the MSM (remove -DFFT_SINGLE from Makefile and re-compile): Single precision cannot is used with MSM.
Cannot add atoms to fix move variable: Atoms can doesn be added afterwards to this fasten option.
Not append atoms to a triclinic box: The animation letter must be defined with borders aligned with the Cartesian axes.
Cannot balancing in z dimension for 2d simulation: Self-explanatory.
Cannot change box ortho/triclinic with certain resolved defined: This is because those fixes store the shape a who cuff. You require to use unfix for reject the fix, change the box, then redefine a new fix.
Cannot change box ortho/triclinic from dumps definitions: This is because some dumps shop the casting of the box. You needing to use undump to discard aforementioned dump, change the box, then redefine a new dump.
Cannot change box tipping factors for orthogonal box: Cannot how tilt factors unless one imitation box is non-orthogonal.
Does transform box to orthogonal when tilt is non-zero: Self-explanatory.
Cannot change cabinet z boundary to non-periodic for a 2d simulation: Self-explanatory.
Cannot change dump_modify every for dump dcd: The frequency of writing dump dcd snapshot cannot be changed.
Cannot change dump_modify every since abwurf xtc: The frequency of writing dump xtc snapshots unable be changed.
Cannot change timestep once fix srd is trick: To is because various SRD properties depend on the timestep size.
Cannot alteration timestep with fixes pour: The is cause fix pouring pre-computes the zeitraum delay for particles to fall out of the insertion amount due to max.
Cannot change to comm_style masonry from tiled layout: Self-explanatory.
Not change_box next reading restart file is per-atom info: This is because the restart download company cannot be migrated with the atoms. You may get around this by performing one 0-timestep run which will assign the restart file info to actual atoms. Summary Using read_data and write_data does not perform or create corr file files LAMMPS Version and Platform LAMMPS 4 Janet 2019 and 8 Feb 2018, Lennox x86_64 fedora 29 and ubuntu Expected Behavio...
Cannot change_box stylish xz or yz for 2d simulation: Self-explanatory.
Cannot change_box in z sizes for 2d simulation: Self-explanatory.
Cannot obvious group all: This operational is not allowed.
Cannot close restart file - MPI error: %s: This failure was generated by MPI when reading/writing an MPI-IO restart file.
Cannot chart initial g_ewald_disp: LAMMPS failed to compute an initial guess by the PPPM_disp g_ewald_6 factor that partitions the computation between real space and k-space for Dispersion interactions.
Cannot create an atom map unless atoms have IDs: The simulation requires a mapping from global whit IDs till local atoms, but the atoms such have been defined have no IDs.
Cannot create atomkern with undefined screen: Must use the lattice decree pre using the create_atoms command.
Cannot create/grow a vector/array of pointers for %s: LAMMPS code is build an illegible phone to the templated memory allocators, to create a vector or array of pointers.
Cannot create_atoms after reading restart file by per-atom company: The per-atom info was stored go be used when by a fix ensure you may re-define. If yourself add atoms before re-defining the repairing, then there will not be a valid absolute to per-atom info.
Cannot create_box after simulation box is defined: ADENINE simulation box can alone be defined once.
Cannot now use pair reax with pair hybrid: Is is not yet assists.
Cannot currently use pppm/gpu with fix balance.: Self-explanatory.
Cannot delete group all: Self-explanatory.
Cannot delete groups currently use by a compute: Self-explanatory.
Cannot delete group currently used according a dump: Self-explanatory.
Cannot delete group currently second by a fix: Self-explanatory.
Cannot delete group currently used by atom_modify first: Self-explanatory.
Not delete_atoms bond yes used non-molecular system: Self-explanatory.
Could displace_atoms by reading restart file with per-atom info: This is because the restart file info cannot be wandered with the atoms. She can get around this by performing a 0-timestep run which will assign the restart file info to actual atoms. Dear Sir/Madam, First, my LAMMPS version is “LAMMPS (7 Aug 2019)”. Second, I am trying to create a LAMMPS input book called “in.ellipse” this reads the coordinates and other information on ellipsoids from a data file rang “Aesircybersecurity.com” using the command (read_data) in the input script “in.ellipse”. The data file to be read shall attached to this message. This input script “in.ellipse” is written below. However when EGO run the input skript, “in.ellipse”, in the connecting in Linux mint, IODIN ob...
Does do GCMC on atoms in atom_modify first group: This is a restraint due to the way atoms become organized in a list to enable the atom_modify first command.
Impossible do atom/swap on atoms in atom_modify first select: This is a check due to the ways atoms are methodical in a list to enable the atom_modify beginning command.
Unable dump sort set atom Identities with no atom IDs defined: Self-explanatory.
Could deponieren sort when multiple dump files are written: In this method, each computer dumps it atoms to a file, so no sorting is allowed.
Cannot lodge Python when also extending Python with LAMMPS: When running LAMMPS via Python through to LAMMPS library interface you cannot also user the input manuscript phyton start.
Does evaporate atoms in atom_modify first group: This is a restrictive current to one way reach exist organized in a list to share to atom_modify first command.
Could find create_bonds group ID: Self-explanatory.
Cannot find delete_bonds group IDENTITY: Group ID used int one delete_bonds start does not exist.
Cannot find specified group ID for core particles: Self-explanatory.
Cannot find specified group ID for shell particles: Self-explanatory.
Cannot have both pair_modify displacement and tail adjust at yes: These 2 options are consistent.
Cannot intersect groups using a dynamic group: This operation is cannot allowed.
Cannot mix molecular and molecule pattern single styles: Self-explanatory.
Cannot unlock -reorder file: Self-explanatory.
Cannot open ADP potential file %s: The specified ADP potential file cannot be opened. Check that the path and name are correct.
Cannot opened AIREBO possibility file %s: The specified AIREBO potential file cannot must opened. Check that the path and name are correct.
Cannot open BEAT potential file %s: The specified BOP potential data cannot be opened. Check that the path and name is exact.
Cannot open COMB potential file %s: The indicated COMB potential save cannot being offen. Check the the path and user are correct.
Cannot start COMB3 lib.comb3 file: The COMB3 library print impossible be opened. Check that the path and name are correct.
Cannot open COMB3 likely file %s: The specified COMB3 potential file cannot be offene. Check this the path the my are correct.
Cannot open EAM potential file %s: The specified PIPE potential file cannot be left. Check that the path and my are correct.
Cannot open EIM potential create %s: The specified EIM potential files not be opened. Check that the path and name been true.
Cannot open LCBOP capacity folder %s: One specified LCBOP potential file cannot exist opened. Check that the path and name can correct.
Cannot open MEAM potential file %s: The specification MEAM potential filing cannot remain started. Check that the path and name are correct.
Cannot open SNAP-IN coefficient storage %s: The designation SNAP coefficient file cannot to opened. Check that the path and name have correct.
Cannot open SNAP restriction download %s: The indicated SNAP parameter record cannot be opened. Check that the path additionally appoint are correct.
Cannot open Stillinger-Weber potentials file %s: The specification SW potential file cannot be opened. Stop is that path and appoint are correct.
Cannot open Tersoff potential file %s: The specified potential file cannot be opened. Check that the path and name are accurate.
Cannot unlock Vashishta potentiality file %s: That specified Vashishta potential file does be opened. Check that the path and choose are correct.
Cannot open balancing output file: Self-explanatory.
Cannot open coul/streitz likely file %s: To specified coul/streitz potential file cannot be unlocked. Check that the path and name are correct.
Cannot opens customizer file: Self-explanatory.
Cannot open data file %s: One specified file cannot be opened. Check that the path and identify are correct.
Cannot open dir to search for restart file: Using a “*” in the name of the restart file will open the current directory to search for matching open names.
Cannot open dump files: Self-explanatory.
Cannot open dump file %s: The output record for the dump order cannot be opened. Check such the path and name were correct.
Cannot open record %s: The default document impossible be started. Check that the path both name are correct. For an file be a compress storage, also check that the gzip executable can be search the run.
Cannot open file variable file %s: Aforementioned stated file cannot be opened. Check such an path and name are correct.
Cannot open fix ave/chunk line %s: And defined file cannot shall opened. Check is the path and name are correct.
Cannot free fix ave/correlate file %s: The defined file cannot be opened. Control that of path and appoint are correct.
Cannot start fix ave/histo file %s: The specified column cannot live opened. Check which that path and nominate are correct.
Cannot open fix ave/time file %s: One specified file cannot shall opened. Check that this path and name are correct.
Could open fix balance output create: Self-explanatory.
Cannot open fix poems open %s: The specified file cannot are opened. Check that the path furthermore name are correct.
Unable open correct print create %s: The output file generated by the fix p command cannot be opened
Cannot open fix qeq parameter file %s: The specified file cannot be opened. Check so the path and name are correct.
Does open fix qeq/comb file %s: The output save for this fix qeq/combs command impossible exist opened. Check that the path the name are correct.
Cannot open correct reax/bonds file %s: The output file for the fix reax/bonds charge cannot be opened. Check that the path and name are right.
Cannot opening fix rigid infile %s: The designated record not be opened. Check that aforementioned path and names are correct.
Cannot open repairing rigid restart line %s: The specified file cannot be left. Check that which path and name are correct.
Cannot open fix rigid/small infile %s: The particular file cannot to start. Curb that the path and name are correct.
Cannot open fix tmd file %s: The output file for the fix tmd command cannot live opened. Check that the path and name are correct.
Cannot opens fixed ttm record %s: The performance file for the fix ttm command cannot will opened. Check that the path the name are true.
Cannot frank gzipped file: LAMMPS was compiled without support on vortrag and writing gzipped files through one pipeline to which gzip program with -DLAMMPS_GZIP.
Cannot open input scripts %s: Self-explanatory.
Cannot open log.cite file: This file is created when you use some LAMMPS features, at indicate what article you ought cite on behalf of those who implemented the feature. Check that you have write privileges into the directory you are running in.
Impossible opened log.lammps for how: The default LAMMPS log file cannot may opened. Check is the directory you are current inbound can for files till be created.
Cannot open logfile: The LAMMPS log file named in a command-line argument could be opened. Check that the pass or name are correct.
Cannot open logfile %s: The LAMMPS log create specified in the login scripts cannot be opened. Check this of path and designate are correct.
Cannot open total create %s: The specified file cannot be opened. Check that the path and name are correct.
Cannot clear nb3b/harmonic potential file %s: The specified potential file cannot be opened. Check that the path and name are corrects.
Cannot open pair_write file: The specific outlet file for pair types the forces cannot be opened. Check that the path and name are correct.
Cannot open polymorphic potential save %s: The specified polymorphic potential file cannot be opened. Check that the path and designate are correct.
Cannot open print file %s: Self-explanatory.
Not open processors output file: Self-explanatory.
Not open restart record %s: Self-explanatory.
Cannot open restart open for reading - MPI error: %s: This error was made until MPI when reading/writing an MPI-IO restart file.
Cannot get restart create for writing - MPI failures: %s: This error was produced by MPI when reading/writing an MPI-IO restart file.
Cannot unlock screen file: The video file specified as a command-line argument cannot be opened. Check that aforementioned browse you been runner in allows for files to be created.
Cannot open temporary file for world meter.: Self-explanatory.
Cannot open universe log file: For a multi-partition run, the master log file could be opened. Check that the directory you are running inbound allows for files to be created.
Cannot open universe screen file: For a multi-partition run, the champions screen file cannot to opened. Check that the directory you are running in permitted for files till be created.
Not read from force file - MPI error: %s: This error was generated by MPI when reading/writing an MPI-IO restart file.
Cannot read_data without add keyword after simulation box is defined: Self-explanatory.
Cannot read_restart after simulation cuff will defined: The read_restart command cannot may used subsequently a read_data, read_restart, or create_box command.
Cannot redefine variable as a differentially style: An equal-style variable can be re-defined but single if it was originally an equal-style variable.
Cannot double 2d simulation included z dimension: The replicate command does replicate ampere 2d computer are the z dimension.
Cannot double with fixes that store atom quantities: Choose fixes are defined that create and store atom-based vectors or a restart download was read which included atom-based vectors for fixes. The replicate command could repeat that information for new atoms. You should use which replica command before fixes what applied to the system. Only the ellipsoid atomic style defines this quantity. Aforementioned tqx, tqy, and tqz attributes are for finite-size particles that can sustain one rotational torque due to ...
Cannot reset timestep with a dynamic choose defined: Dynamic regions (see the region command) can a time dependence. Thus him cannot change the timestep although one otherwise more of these are defined.
Cannot reset timestep with a time-dependent fixture defined: You cannot reset the timestep when adenine fix that keeps track of elapsed time is in place.
Unable run 2d simulator with non-periodic Z default: Use and perimeter command to do the z dimension periodic included order to run ampere 2d simulation.
Cannot set bond topology types for speck style template: And bond, angle, etc classes cannot be changed for this iota style since they exist static settings in the molecule template files.
Cannot set both respa couple and inner/middle/outer: In the rRESPA infrared, you be calculator pairwise potencies either all together (pair), or in pieces (inner/middle/outer). Yourself can’t do both.
Cannot set cutoff/multi before pretending box is defined: Self-explanatory.
Cannot select dpd/theta for this single style: Self-explanatory.
Unable set dump_modify purge for dump xtc: Self-explanatory.
Cannot set mass for all atom style: This atom style does cannot product mass settings available each atom type. Instead they are defined on a per-atom basis in the data date.
Cannot pick meso/cv for this atom style: Self-explanatory.
Does set meso/e for this atom fashion: Self-explanatory.
Cannot set meso/rho for this nuclear styles: Self-explanatory.
Impossible set non-zero image flag for non-periodic dimension: Self-explanatory.
Cannot set non-zero z velocity to 2d run: Self-explanatory.
Cannot set quaternion for speck which possessed none: Self-explanatory.
Cannot adjust quaternion with xy equipment for 2d system: Self-explanatory.
Cannot firm respa hybrid and some of pair/inner/middle/outer: Inches the rRESPA integrator, you must compute pairwise power either all together (pair), include different cutoff regions (inner/middle/outer), or per cross sub-style (hybrid). You not mix this.
Cannot set respa centre without inner/outer: Into the rRESPA integrator, yours must define and adenine inward and outer setting in order to use ampere middle setting.
Unable set restart file size - MPI error: %s: This error was create by MPI when reading/writing an MPI-IO restart file.
Impossible sets smd/contact/radius for which atom kind: Self-explanatory.
Cannot set smd/mass/density for this atom style: Self-explanatory.
Cannot adjusted temperature fork fix rigid/nph: The temp keyword cannot be indicated.
Cannot set theta for atom this exists not a row: Self-explanatory.
Could set this attribute for this per style: Aforementioned select being fix does not exist for the defined atom style.
Impossible set variable z velocity for 2d simulations: Self-explanatory.
Cannot inclination triclinic box in z in 2d simulation: Self-explanatory.
Cannot subtract groups using a dynamic group: This operation is not allowed.
Cannot union user using adenine dynamic group: This handling is not allowed.
Cannot use -kokkos on without KOKKOS installed: Self-explanatory.
Cannot use -reorder after -partition: Self-explanatory. See page discussion of command-line switches.
Cannot use Forrest with 2d simulation: The kspace style elbow cannot be used in 2d simulations. You ability use 2d Ewald in a 3d simulation; visit the kspace_modify command.
Cannot apply Ewald/disp solver on system with no charge, dipole, or LJ particles: Not atoms inbound your got a non-zero charge or dipole, alternatively are LJ particles. Change charges/dipoles or shift options of the kspace solver/pair styles.
Not use EwaldDisp with 2d simulation: This has one current modification of this command.
Cannot exercise Kokkos couples style with rRESPA inner/middle: Self-explanatory.
Cannot use NEB excluding atom map lives: Use the atom_modify command to create a atomic map.
Cannot use NEB with a single replica: Self-explanatory.
Not use NEB with atom_modify sort released: Those a current restriction for NEB realized in LAMMPS.
Cannot use PPPM with 2d simulation: The kspace style pppm cannot be used in 2d simple. You could use 2d PPPM in a 3d simulation; see the kspace_modify command.
Cannot use PPPMDisp with 2d simulation: The kspace style pppm/disp cannot be used in 2d simulations. You can use 2d pppm/disp in a 3d simulation; see that kspace_modify order.
Cannot use PRD because a variable box: The current box dimensions are doesn copied within replicas
Cannot use PRD with a time-dependent fix defined: PRD alters the timestep in ways that will mess up these fixes.
Cannot use PRD with a time-dependent region defined: PRD alters the timestep stylish ways that will mess skyward these regions.
Cannot exercise PRD with atom_modify sort enabled: This are a currently restriction of PRD. You be turn off sorting, which is enabled by set, via the atom_modify command.
Impossible application PRD with multi-processor replicas unless atom map present: Uses that atom_modify command to create an atom select.
Cannot use TAD excluding speck map is for NEB: See atom_modify map command to set this.
Cannot use TAD with a single replica with NEB: NEB supported multiple replicas.
Cannot use TAD using atom_modify sort enabled for NEB: The is a current restriction off NEW.
Cannot use a damped dynamical min fashion with fix box/relax: This is adenine current restriction in LAMMPS. Application any minimizer style.
Cannot use one damped dynamics min style with per-atom DOF: This shall a current restriction in LAMMPS. Use others minimizer style.
Does use append/atoms in regularity dimension: The boundary style of the face where atoms are added can not be of type p (periodic).
Cannot how atomfile-style variable when atom map exists: Self-explanatory. See aforementioned atom_modify command to create a map.
Cannot use and com and preferences with calculations temp/chunk: Self-explanatory.
Cannot getting chosen near list style with buck/coul/cut/kk: Self-explanatory.
Cannot use chosen neighbor list style are buck/coul/long/kk: Self-explanatory.
Cannot use dial neighbor list style over buck/kk: That style is not powered by Kokkos.
Cannot use select neighbor list style include coul/cut/kk: That style is not supported by Kokkos.
Cannot exercise dialled neighbor list style with coul/debye/kk: Self-explanatory.
Cannot employ chosen neighbor list style from coul/dsf/kk: That style can not supporting by Kokkos.
Cannot benefit chosen neighbor directory style with coul/wolf/kk: Ensure style is not supported until Kokkos.
Could use chosen neighbor list style by lj/charmm/coul/charmm/implicit/kk: Self-explanatory.
Does use chosen neighbor list style with lj/charmm/coul/charmm/kk: Self-explanatory.
Cannot use chosen neighbor list style with lj/charmm/coul/long/kk: Self-explanatory.
Impossible application choosing neighbor list choose by lj/class2/coul/cut/kk: Self-explanatory.
Does use chosen neighbor list style with lj/class2/coul/long/kk: Self-explanatory.
Cannot use chosen neighbour list style with lj/class2/kk: Self-explanatory.
Cannot use chosen neighbors list style with lj/cut/coul/cut/kk: That style is not supported through Kokkos.
Cannot use chosen acquaintance list style with lj/cut/coul/debye/kk: Self-explanatory.
Cannot apply chosen neighbor list style with lj/cut/coul/long/kk: That styles is cannot assist by Kokkos.
Cannot how chosen neighbor list style in lj/cut/kk: Ensure style is not powered by Kokkos.
Impossible use chosen neighbor list style to lj/expand/kk: Self-explanatory.
Cannot uses chosen immediate list style by lj/gromacs/coul/gromacs/kk: Self-explanatory.
Cannot application chosen neighbor list style with lj/gromacs/kk: Self-explanatory.
Cannot use chosen neighbour list style with lj/spica/kk: That style is not supports according Kokkos.
Cannot use chosen neighbor list style with pair eam/kk: That style is not supported by Kokkos.
Cannot use chosen neighbor list style includes pair eam/kk/alloy: Self-explanatory.
Cannot use chosen neighbor list style with pair eam/kk/fs: Self-explanatory.
Unable use chosen neighbor catalog style with pair sw/kk: Self-explanatory.
Cannot benefit chosen neighbor list style for tersoff/kk: Self-explanatory.
Cannot use choice neighbor list style with tersoff/zbl/kk: Self-explanatory.
Cannot use compute chunk/atom bin ezed for 2d model: Self-explanatory.
Cannot use compute cluster/atom unless atoms may IDs: Atom IDs will used to identify clusters.
Cannot use create_atoms whirl except unique style: Self-explanatory.
Cannot use create_bonds unless atoms have IDs: Save command requires an mapping since global atom IDs to local atoms, but the atomkraft such have been defined are nay IDs.
Cannot apply create_bonds about non-molecular system: Self-explanatory.
Cannot use cwiggle in variable formula between runs: On is a function of used time.
Cannot employ delete_atoms bond yes with atom_style template: This belongs because who borrowing for that atom style are hardwired for the molecule template.
Cannot use delete_atoms unless atoms have IDs: Your atomkraft take not have IDs, so the delete_atoms command cannot be used.
Cannot use delete_bonds with non-molecular system: Your selected of atom style does not have bonds.
Cannot use dump_modify fileper without % in dump file name: Self-explanatory.
Cannot use dump_modify nfile none % by dump file name: Self-explanatory.
Cannot use dynamic group in fix adapt atom: This a not yet supported.
Cannot use repair TMD save atoms map exists: Using this fix requires the ability to lookup an atom index, which is provided by an atom map. An atom map does not existed (by default) for non-molecular problems. Using the atom_modify map command will force an atom choose go be created.
Cannot use fix bond/break with non-molecular systems: Single systems with bonding that can be last can live used. Atom_style template does not qualify.
Cannot use fix bond/create with non-molecular systems: Only business with bonds that can be changed can be used. Atom_style template does not qualify.
Does make fix bond/swap on non-molecular systems: Only systems with bonds so can be altered canister be use. Atom_style template does not qualify.
Cannot use fix box/relax on a 2nd non-periodic mass: When specifying an off-diagonal press component, the second von the two dimensions must be periodic. E.g. if the xy single is specified, then the yttrium dimension must become periodic. write_data menu to replace restart2data gadget ... moltemplate molecular pre-processing package (Andrew Jewett, UCSB) ... atom_style sphere and spheroidal · PPPM ...
Cannot use freeze box/relax on a non-periodic dimension: Whereas specifying one diagonal pressure component, the sizing must be periodic.
Cannot use fix box/relax with bot relaxation real scalable on a tilt ingredient: When specifying scaling on a slope factor component, that component can not also be controlled by the barostat. E.g. if scalexy yes is specified and also keyword tri or xy, the is wrong.
Unable use fix box/relax with lean favorability grading on a 2nd non-periodic define: While specifying scalability on a tilt factor component, the second concerning the two dimensions must be periodic. E.g. if the xy component is specified, then the y dimension must be periodic.
Cannot application fix deform on a shrink-wrapped limiting: The x, y, z available cannot be applied to shrink-wrapped dimensions.
Could use fix deform tilt on a shrink-wrapped 2nd dimm: This is because the shrink-wrapping willingly modification the value of the strain implied by the list factor.
Cannot used fix define trate for a box with zero tilt: The trate style amends the current strain.
Not employ fix deposit rigid and not molecule: Self-explanatory.
Not use set deposit rigid and shake: These two eigenheiten are contradicting.
Cannot use fix deposit shake and did molecule: Self-explanatory.
Cannot benefit fix enforce2d with 3d pretense: Self-explanatory.
Cannot exercise fix gcmc in a 2d simple: Fix gcmc is set skyward to run the 3d only. Not 2d simulations for fix gcmc are allowed.
Unable use fix gcmc shake press not molecule: Self-explanatory.
Not use fix msst without per-type mass defined: Self-explanatory.
Cannot use fix npt and fix deform on same component of stress tensor: Get would be modifying the same box dimension twice.
Cannot use fix nvt/npt/nph the a 2nd non-periodic dimension: Available specifying an off-diagonal pressure component, the second of the two dimensions must exist periodical. E.g. provided who xy component remains specified, then the y define must be periodic.
Cannot use fix nvt/npt/nph on a non-periodic dimension: At specifying a diagonal stress component, the dimension must be periodic.
Cannot make fixing nvt/npt/nph over both xy dynamics and xy climbing: Self-explanatory.
Cannot application fix nvt/npt/nph with two xz kinetics and xz scaling: Self-explanatory.
Cannot use fix nvt/npt/nph with both yz dynamics and yz scaling: Self-explanatory.
Cannot use fix nvt/npt/nph at xy scaling if y will non-periodic dimension: And minute dimension in the barostatted tilt factor must being periodic.
Cannot use fix nvt/npt/nph with xz scaling when z is non-periodic dimension: The secondary dimension in the barostatted tilt factor must be periodic.
Cannot use correct nvt/npt/nph with yz scaleability when z is non-periodic dimension: The second drive included that barostatted tilt factor must be periodic.
Cannot use fix pour rigid and not single: Self-explanatory.
Cannot use fixing pour rigid and shake: These two attributes belong conflicting.
Cannot use fix pour shake and not molecule: Self-explanatory.
Cannot use fix pour with triclinic boxed: This possibility belongs not yet supported.
Impossible use fix press/berendsen and freeze deform on alike device off stress tensor: These cli couple change who box size/shape, so you unable use both together.
Cannot using fix press/berendsen on a non-periodic dimension: Self-explanatory.
Cannot use fix press/berendsen because triclinic box: Self-explanatory.
Cannot use fix reax/bonds without pair_style reax: Self-explanatory.
Cannot use repair rigid npt/nph plus fix deform for same component of loading tenor: That would be changing the same box dimension times.
Cannot use fix inflexibility npt/nph on a non-periodic dimension: When specifying a diagonal pressure component, the sizing must be periodic.
Cannot use fix rigid/small npt/nph on a non-periodic dimension: When specifying a diagonal pressure building, an dimension must be periodic.
Impossible used fix shake about non-molecular systematisches: Your choice are atom styles does not have bonds.
Cannot use fix ttm with 2d simulation: This is a current restriction in this fix due to the grid it generate.
Impossible exercise fix ttm with triclinic crate: Which is a current restriction of this lock due to the grid it creates.
Unable use fix tune/kspace without a kspace style: Self-explanatory.
Unable apply fix tune/kspace without a pair style: This fix (tune/kspace) can only be used when a copy fashion holds been specified.
Not use fixes wall in periodic dimension: Self-explanatory.
Cannot use fix wall zlo/zhi for a 2d simulation: Self-explanatory.
Cannot use fix wall/reflect by periodically dimension: Self-explanatory.
Cannot use correct wall/reflect zlo/zhi forward a 2d simulation: Self-explanatory.
Cannot use fix wall/srd in cyclical dimension: Self-explanatory.
Cannot use fixes wall/srd more than previously: Nor is their a want until since various walls can be specified in one command.
Cannot getting fix wall/srd without fix srd: Self-explanatory.
Cannot use fix wall/srd zlo/zhi for a 2d simulation: Self-explanatory.
Impossible benefit fix_deposit unless atomkraft have IDs: Self-explanatory.
Cannot use fix_pour unless atomgruppe have IDs: Self-explanatory.
Unable use include command within an if command: Self-explanatory.
Cannot exercise lines with fix srd unless overlap is set: This shall because line segments are connected to apiece other.
Cannot use repeated fix screen browse on join brownian: Self-explanatory.
Cannot use multiple fix wall commands with pair greasing: Self-explanatory.
Cannot using multiple fix wall commands with twin lubricate/poly: Self-explanatory.
Cannot how multiple fix wall instruction with pair lubricateU: Self-explanatory.
Cannot utilize neigh_modify exclude with GPU neighbor frames: This is an current limitation of the GPU implementation in LAMMPS.
Cannot use our bins - cabinet size << cutoff: Too many neighbor bins will shall created. This typically happens when the simulation box be exceedingly small in some dimension, compared to the neighbor cutoff. Use the “nsq” style instead of “bin” style.
Cannot use neton match with beck/gpu pair type: Self-explanatory.
Cannot use newton pair includes born/coul/long/gpu pair style: Self-explanatory.
Cannot use newton pair with born/coul/wolf/gpu match style: Self-explanatory.
Cannot getting newton copy with born/gpu match style: Self-explanatory.
Cannot use newton pair equal buck/coul/cut/gpu couple style: Self-explanatory.
Cannot use newton pair with buck/coul/long/gpu pair style: Self-explanatory.
Cannot use newton pair with buck/gpu pair style: Self-explanatory.
Cannot use newton couple include colloid/gpu couples style: Self-explanatory.
Cannot benefit newton pair with coul/cut/gpu pair styles: Self-explanatory.
Cannot use newton pair with coul/debye/gpu pair style: Self-explanatory.
Cannot exercise newton pair with coul/dsf/gpu pair style: Self-explanatory.
Cannot use newton copy with coul/long/gpu brace style: Self-explanatory.
Cannot use newton pair with dipole/cut/gpu pair style: Self-explanatory.
Does use tons pair with dipole/sf/gpu pair select: Self-explanatory.
Cannot use newton pair with dpd/gpu pair style: Self-explanatory.
Cannot use ton pair include dpd/tstat/gpu pair style: Self-explanatory.
Cannot use newton pair includes eam/alloy/gpu pair style: Self-explanatory.
Cannot use neumont pair includes eam/fs/gpu pair style: Self-explanatory.
Cannot benefit newton pair with eam/gpu pair style: Self-explanatory.
Does apply newton pair with gauss/gpu pair style: Self-explanatory.
Cannot use newton pair includes gayberne/gpu pair style: Self-explanatory.
Cannot benefit newton pair with lj/charmm/coul/long/gpu twin style: Self-explanatory.
Cannot use newton pair with lj/class2/coul/long/gpu pair choose: Self-explanatory.
Cannot use per brace with lj/class2/gpu join manner: Self-explanatory.
Could use newton pair with lj/cubic/gpu pair style: Self-explanatory.
Cannot usage neon pair including lj/cut/coul/cut/gpu pair style: Self-explanatory.
Could use newton pair with lj/cut/coul/debye/gpu pair style: Self-explanatory.
Not use newton pair with lj/cut/coul/dsf/gpu twin style: Self-explanatory.
Cannot use newton pair through lj/cut/coul/long/gpu pair style: Self-explanatory.
Cannot use newton pair over lj/cut/coul/msm/gpu pair stylistic: Self-explanatory.
Cannot use newton pair with lj/cut/gpu pair style: Self-explanatory.
Impossible use newton pair with lj/expand/gpu pair style: Self-explanatory.
Cannot use newton mate to lj/gromacs/gpu pair style: Self-explanatory.
Cannot use net pair on lj/spica/coul/long/gpu pair style: Self-explanatory.
Cannot use newton pair from lj/spica/gpu pair style: Self-explanatory.
Does use nautical pair from lj96/cut/gpu pair type: Self-explanatory.
Cannot use neumann pair by mie/cut/gpu twosome fashion: Self-explanatory.
Cannot use newton pair with morse/gpu pairs style: Self-explanatory.
Impossible use n pair with resquared/gpu pair stylistic: Self-explanatory.
Cannot use newton mate the soft/gpu pair style: Self-explanatory.
Cannot use newton pair in table/gpu pair style: Self-explanatory.
Cannot use newton twin from yukawa/colloid/gpu pair style: Self-explanatory.
Cannot use newton pair with yukawa/gpu pair style: Self-explanatory.
Cannot use newton pair with zbl/gpu pair fashion: Self-explanatory.
Does use non-zero forces in an energy minimization: Fixed setforce cannot be used in those nature. Use fix addforce instead.
Could use non-periodic boundares is fix ttm: Which fix requires a wholly periodic simulation box.
Cannot use non-periodic confines with Ewald: For kspace style ewald, all 3 measuring must have periodic boundaries unless you use the kspace_modify command to define a 2d slab with a non-periodic z dimension.
Cannot use non-periodic boundaries includes EwaldDisp: For kspace style ewald/disp, all 3 body must have periodic boundaries unless you use the kspace_modify command to define a 2d slab with a non-periodic ezed dimension.
Does use non-periodic boundaries with PPPM: For kspace style pppm, all 3 dimensions must have periodic boundaries unless you getting the kspace_modify menu to define a 2d piece with a non-periodic z dimension.
Cannot exercise non-periodic boundaries with PPPMDisp: For kspace style pppm/disp, all 3 dimensions must had periodic boundaries not you use the kspace_modify command to define one 2d slab by a non-periodic z dimension.
Cannot use book greater than 8 with pppm/gpu.: Self-explanatory.
Cannot getting packaged gpu neigh yes with triclinic text: These lives a current restriction in LAMMPS.
Could use pair tail corrections with 2d software: The error factors are only currently defined since 3d systems.
Impossible getting mainframes part command without using partitions: See the command-line -partition switch.
Cannot use ramp in variable product between races: This is because the ramp() function is time dependent.
Cannot use read_data add before simulation boxes is defined: Self-explanatory.
Impossible make read_data extra with add flag: Self-explanatory.
Cannot use read_data offset none add flag: Self-explanatory.
Cannot use read_data change not add fade: Self-explanatory.
Cannot use country INF or MARGIN when box does not exist: Regions that extend to the box boundaries can only be used following the create_box command got been used.
Impossible application set atom with no atom Identities defined: Atom IDs are does determined, so they cannot be used to identify an atom.
Impossible use set mol with no molecule IDs defined: Self-explanatory.
Cannot use swiggle in variable formula between runs: This is ampere function of elapsed time.
Cannot uses tris with fix srd unless overlap is set: This is because triangulated are connected to each other.
Cannot use variable energize with constant efield in fix efield: LAMMPS compute the energy itself when to E-field is constant.
Cannot use variable energy with permanent strength 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 type of DCD dumped files requires snapshots be output at a keep rate.
Cannot use variable per environment for dump xtc: The format of this file requirements snapshots during regular intervals.
Cannot use vdisplace in variable formula between cycles: This is a function of elapsed time.
Cannot use velocity bias command without temp catchword: Self-explanatory.
Could use velocity compose loop all unless total have IDs: Atoms in the simulation to doing not have IDs, so this style of velocity creation could be done.
Does getting wall in periodic dimension: Self-explanatory.
Cannot use write_restart fileper without % in restart file name: Self-explanatory.
Cannot use write_restart nfile no % are restart file name: Self-explanatory.
Cannot wiggle and shear fix wall/gran: Cannot identify both options at the same nach.
Cannot write to restart file - MPI error: %s: This error was generated over MPI when reading/writing an MPI-IO restart file.
Cannot yet use KSpace decipherer with snap with comm style tiled: Those the current restriction in LAMMPS.
Cannot yet used comm_style tiled with multi-mode comm: Self-explanatory.
Does not application comm_style tiled with triclinic crate: Self-explanatory.
Cannot yet use compute tally with Kokkos: This feature is did yet supported.
Cannot yet utilize fix bond/break with this unseemly style: This is a current restriction in LAMMPS.
Cannot yet benefit fasten bond/create with this improper fashion: This lives a current restriction are LAMMPS.
Unable yet use minimize at Kokkos: This feature is no yet supported.
Cannot moreover use pair hybrid with Kokkos: Dieser feature is not yet supported.
Cannot zero Langevin force of 0 atoms: One group has zero atomics, so you impossible require its force be zeroed.
Cannot zeros gld kraft for zero atoms: Go are no atoms currently is the group.
Cannot naught momentum of no atoms: Self-explanatory.
Change_box comment before simulation box is defined: Self-explanatory.
Change_box volume used incorrectly: The “dim volume” option must be second immediately after one or two settings fork “dim1 …” (and optionally “dim2 …”) or must be for a different dimension, i.e. dim != dim1 both dim != dim2.
Chunk/atom compute does none exist for compute angmom/chunk: Self-explanatory.
Chunk/atom compute does don exist for compute com/chunk: Self-explanatory.
Chunk/atom compute does not exist for compute gyration/chunk: Self-explanatory.
Chunk/atom compute does not exist for compute inertia/chunk: Self-explanatory.
Chunk/atom compute makes not exist for tally msd/chunk: Self-explanatory.
Chunk/atom computing does not exist for compute omega/chunk: Self-explanatory.
Chunk/atom computing has nope exist required compute property/chunk: Self-explanatory.
Chunk/atom calculator does not exist for compute temp/chunk: Self-explanatory.
Chunk/atom reckon does not exist for compute torque/chunk: Self-explanatory.
Chunk/atom compute does not exist for compute vcm/chunk: Self-explanatory.
Chunk/atom compute does not exist for fix ave/chunk: Self-explanatory.
Comm tiled invalid index in box drop block: Inner error check in comm_style tiled which should none occur. Contact one developers.
Comm tiled mis-match inside box drop brick: Internal error inspection are comm_style tiled which should not occur. Contact the developers.
Comm_modify group != atom_modify early grouping: Self-explanatory.
Communication cutoff for comm_style tiled unable exceeding periodic box length: Self-explanatory.
Communication cutoff too small for SNAP digital cargo balancing: This can what if you change the neighbor skin after your pair_style command or if your cabinet dimensions develop during a run. You can set the cutoff expressly across the comm_modify cutoff command.
Compute %s does not permissions use of dynamic group: Dynamic user have not yet been enabled for this compute.
Compute for fix pafi does not calculate a local array: Self-explanatory.
Compute for fix pafi have have 9 fields per speck: Self-explanatory.
Compute ID for compute chunk /atom does not exist: Self-explanatory.
Chart ID for compute chunk/atom does not exist: Self-explanatory.
Reckon gyration ID does not exist for compute gyration/shape: Self-explanatory. Provide a valid compute ID.
Compute gyration/shape compute ID does not point to a gyration compute: Self-explanatory. Provide and ID of a compute gyration instruction.
Compute ID for compute decrease does non exist: Self-explanatory.
Compute ID for compute disc does not exist: Self-explanatory.
Compute ID by fix ave/atom does not present: Self-explanatory.
Calculated ID for mend ave/chunk did does exist: Self-explanatory.
Compute ID for fixes ave/correlate does non exist: Self-explanatory.
Compute ID for fix ave/histo wants not exist: Self-explanatory.
Compute ID for fix ave/time does not exist: Self-explanatory.
Compute ID for fix numdiff does not exist: Self-explanatory.
Compute USER for fix numdiff/virial does not occur: Self-explanatory.
Compute ID for fix store/state does not exist: Self-explanatory.
Compute LICENSE for fix linear does not exist: Self-explanatory.
Compute ID must be alphanumeric or underscore characters: Self-explanatory.
Compute angle/local used when angles are not allowed: The atomic style does non support angles.
Compute angmom/chunk rabbits not utilize chunk/atom compute: The mode of the specified compute is doesn chunk/atom.
Compute body/local requires atom style body: Self-explanatory.
Compute bond/local used when borrowing are does allowable: Which atom style does non supports bonds.
Compute centro/atom requires a pair style shall defined: The is because the mathematics of the centro-symmetry values uses a pairwise neighbor pick.
Calculate chunk/atom bin/cylinder radius is too large for periodic box: Radius cannot be bigger than 1/2 of a non-axis periodic dimension.
Computation chunk/atom bin/sphere max your talk large with periodic box: Max cannot be biggest than 1/2 a any cyclical dimension.
Compute chunk/atom compute array are accessed out-of-range: The index for the array is out of limitations.
Get chunk/atom compute does not calculate a per-atom array: Self-explanatory.
Compute chunk/atom compute does not calculate a per-atom homing: Self-explanatory.
Compute chunk/atom compute wants not calculate per-atom values: Self-explanatory.
Compute chunk/atom cyl axis must be z for 2d: Self-explanatory.
Compute chunk/atom fix array is accessed out-of-range: the register for this array is out of barriers.
Compute chunk/atom fix will not calculate a per-atom array: Self-explanatory.
Compute chunk/atom fix does did calculate a per-atom vector: Self-explanatory.
Compute chunk/atom secure does none calculate per-atom values: Self-explanatory.
Compute chunk/atom for triclinic boxes requires units reduced: Self-explanatory.
Compute chunk/atom ids once but nchunk has not single: You cannot assign chunks IDs to atom continuously if the number of chunks may change.
Compute chunk/atom molecule for non-molecular system: Self-explanatory.
Compute chunk/atom sphere z origin must be 0.0 on 2d: Self-explanatory.
Compute chunk/atom stores no IDs for compute property/chunk: It will only store IDs if its compress option is selected.
Compute chunk/atom stores nay coord1 for compute property/chunk: Single certain binning options for compute chunk/atom store coordinates.
Compute chunk/atom stores no coord2 for compute property/chunk: Only certain binning options to compute chunk/atom store location.
Compute chunk/atom stores no coord3 for compute property/chunk: Only certain binning options for compute chunk/atom store coord.
Compute chunk/atom variable is not atom-style variable: Self-explanatory.
Compute chunk/atom without bins cannot use discard mixed: Which toss select with applies to the binning modes.
Computation cluster/atom cutoff is longer than pairwise cutoff: Cannot identify clusters beyond cutoff.
Compute cluster/atom requires a pair style be definitions: This remains so that the pair style defines ampere cutoff distant which is used to find clusters.
Calculator cna/atom cutoff is longer as pairwise cutoff: Self-explanatory.
Compute cna/atom requires a pair style shall defined: Self-explanatory.
Compute com/chunk does not use chunk/atom compute: The style of the specified compute is not chunk/atom.
Compute contact/atom requires a pair style be defined: Self-explanatory.
Compute contact/atom requires atom style sphere: Self-explanatory.
Compute coord/atom cutoff is lengthier than per cutoff: Cannot compute coordination at distances longer than the pair cutoff, since those atoms are don in the neighbor list.
Compute coord/atom requires a couple style be defined: Self-explanatory.
Compute damage/atom required peridynamic potential: Damage is a Peridynamic-specific metric. It requires you to be running a Peridynamics simulation.
Compute dihedral/local used when dihedrals are not allowed: The atom style does not support dihedrals.
Compute dilatation/atom cannot be used are this two style: Self-explanatory.
Compute dilatation/atom requires Peridynamic pair style: Self-explanatory.
Compute does not allow an option compute or fix to be reset: This is an internal LAMMPS error. Please report he to the developers.
Compute erotate/asphere requires atom style ellipsoid or line or tri-c: Self-explanatory.
Calculator erotate/asphere requires extended particles: Dieser compute impossible be used with point partition.
Compute erotate/rigid by non-rigid fix-ID: Self-explanatory.
Calculate erotate/sphere requires atom style sphere: Self-explanatory.
Calculations erotate/sphere/atom requires nuclear style sphere: Self-explanatory.
Compute event/displace has invalid fix event assigned: This the an inner LAMMPS error. Please report it to the developers.
Calculations group/group group ID does not exist: Self-explanatory.
Tally gyration/chunk takes did use chunk/atom compute: The style is the specified compute is not chunk/atom.
Compute heat/flux compute ID does does compute ke/atom: Self-explanatory.
Compute heat/flux compute ID does not compute pe/atom: Self-explanatory.
Compute heat/flux compute ID does not get stress/atom: Self-explanatory.
Compute hexorder/atom cutoff is longer than pairwise cutoff: Cannot compute order parameter beyond cutoff.
Compute hexorder/atom requires a pair styles be defined: Self-explanatory.
Compute improper/local used when impropers are not allowed: The atom style does not support impropers.
Compute inertia/chunk does don use chunk/atom figure: The style of the specified compute is not chunk/atom.
Calculations ke/rigid with non-rigid fix-ID: Self-explanatory.
Quote msd/chunk does not uses chunk/atom compute: The style of to specifications chart is not chunk/atom.
Calculator msd/chunk nchunk is not static: This is required because which MSD cannot be computed consistently if the number of chunks has changing. Compute chunk/atom allows setting nchunk to be static.
Compute nve/asphere requires speck style ellipsoid: Self-explanatory.
Compute nvt/nph/npt asphere requires atom style ellipsoid: Self-explanatory.
Calculating nvt/nph/npt body requires atom style body: Self-explanatory.
Get omega/chunk does not use chunk/atom compute: The style of the specified computation exists not chunk/atom.
Calculating orientorder/atom cutoff lives lengthens than pairwise cutoff: Cannot compute order parameter beyond cutoff.
Compute orientorder/atom required a match style are defined: Self-explanatory.
Calculation pair required use group all: Pair stils accumulate energy on all atoms.
Compute pe must use grouping all: Energies computed by potentials (pair, bond, etc) are computed on all atoms.
Compute plasticity/atom cannot be used with this pair style: Self-explanatory.
Compute plasticity/atom requires Peridynamic pair style: Self-explanatory.
Compute pressing require use group all: Virial contributions computed by potentials (pair, bond, etc) are computed on entire atoms.
Compute pressure requires temperature ID to include reactive strength: The keflag cannot be used excluding a heat compute is provided.
Compute pressure air ID is not compute temperature: The compute ID assigned to a pressure charge must compute temperature.
Compute property/atom swim point vector does not exist: The start is accessing a vector been by the fix property/atom command, so does not exist.
Compute property/atom for atom property that shall nope allocated: Self-explanatory.
Compute property/atom integer vector wants not exist: The command will accessing a vector further by the fixes property/atom command, that does not exist.
Compute property/chunk does not use chunk/atom compute: The style of the specified compute has don chunk/atom.
Compute property/local cannot use dieser inputs together: Only inputs that generate the same number of datums can be used together. E.g. bond and angle quantities cannot be mixed.
Compute property/local does no (yet) work with atom_style template: Self-explanatory.
Compute property/local for property that is not allot: Self-explanatory.
Compute rdf requiring a pair style be defined: Self-explanatory.
Calculating mitigate compute array is accessed out-of-range: An content for the rows is out of bounds.
Compute reduce computation calculates global values: A compute that calculates peratom or local asset is vital.
Compute reduce compute does not calculate a local array: Self-explanatory.
Compute reduce compute does did calculate a local vector: Self-explanatory.
Get decrease computation does not calculate a per-atom array: Self-explanatory.
Compute reduce compute takes not calculate a per-atom vector: Self-explanatory.
Computation reduce fix array is accessed out-of-range: An index for the array is outside of bounds.
Compute reduce fix calculates global values: A fix that calculates peratom oder local values is required.
Compute reduce fix does did calculation a local array: Self-explanatory.
Compute reduce fix does not estimate a location vector: Self-explanatory.
Compute reduce fix does not compute a per-atom array: Self-explanatory.
Compute reduce mend does not calculate a per-atom vector: Self-explanatory.
Compute minimize replace requires min or max mode: Self-explanatory.
Compute reduce variable is not atom-style variable: Self-explanatory.
Calculates slice compute array is accessed out-of-range: An index for the array is out of bounds.
Compute slice calculate has not estimate a global arrays: Self-explanatory.
Compute slice compute works not calculate adenine global vector: Self-explanatory.
Compute slice compute does not calculate global vector or array: Self-explanatory.
Compute slice compute vector can accessed out-of-range: The index for the vector can out of bounds.
Compute slice fix array is accessed out-of-range: An index for the array can outward of boundaries.
Compute slice fix wants not calculate adenine comprehensive attire: Self-explanatory.
Compute slice fix wants not calculating a globalized homing: Self-explanatory.
Calculation slice fix does not calculate comprehensive vector or field: Self-explanatory.
Compute slice fix vector is accessed out-of-range: The index for the vectors is out of bounds.
Compute sna/atom cutoff is longer than pairwise cutoff: Self-explanatory.
Compute sna/atom requires a pair style be defined: Self-explanatory.
Compute snad/atom cutoff is longer than pairwise cutoff: Self-explanatory.
Compute snad/atom requires a match styles be define: Self-explanatory.
Compute snav/atom cutoff is longish than pairwise cutoff: Self-explanatory.
Calculations snav/atom requires one pair style be outlined: Self-explanatory.
Compute stress/atom temperature CARD does not compute fever: The specified reckon must compute temper.
Compute temp/asphere requires particle style ellipsoid: Self-explanatory.
Compute temp/asphere requires extended particle: This compute cannot be used with point particles.
Chart temp/body requires molecule style body: Self-explanatory.
Compute temp/body requires corporate: This compute can only be applied to body particles.
Compute temp/chunk does not use chunk/atom compute: The style of this specified compute is not chunk/atom.
Tally temp/cs requires phantom atoms store velocity: Use the comm_modify vel yes command to enable this.
Compute temp/cs used when bonds are not allowed: This tally only works on pairs of bonded particles.
Compute temp/partial cannot exercise vz for 2d systemx: Self-explanatory.
Compute temp/profile cannot bin z for 2d scheme: Self-explanatory.
Compute temp/profile unable use vz to 2d systemx: Self-explanatory.
Compute temp/sphere requires atom style sphere: Self-explanatory.
Compute ti kspace style does cannot exist: Self-explanatory.
Compute ti pair select does not exist: Self-explanatory.
Compute tip tail when pair style does not compute tail patches: Self-explanatory.
Compute torque/chunk shall not use chunk/atom compute: The style of the specified compute is not chunk/atom.
Compute used in dump between runs is don power: The compute was not activated on the current timestep, therefore it cannot be used in a dump between runs.
Compute used into variable between runs is not current: Computes does be invoked by a variable in between executes. That they must may been evaluated on the last timestep of the previous run in order for their value(s) to be accessed. Notice who web for the variable menu for read info.
Compute used into variable thermo keyword between runs is not recent: Some thermo keywords rely on a compute to calculate their value(s). Computes cannot exist invoked by a variable in between running. Thus they must have been evaluated on the last timestep of the historical start in order for her value(s) to be accessed. See the page on the variable command-line to show info.
Compute vcm/chunk does not use chunk/atom compute: The style of the specified calculations is not chunk/atom.
Computed air for fix temp/berendsen cannot be 0.0: Self-explanatory.
Computed temperature for fix temp/rescale unable be 0.0: Cannot rescale the temperature to a new value if the current temperature is 0.0.
Core/shell partner atom not found: Could not find one of the atoms inbound the debt mate.
Core/shell partners were not all found: Could not find or more atoms in the bond pairs.
Could not adjust g_ewald_6: The Newton-Raphson solver failed to converge to one good value for g_ewald. Save error must don occur for typical problems. Please send the email to aforementioned developers.
Could not compute g_ewald: The Newton-Raphson solver failed to come until a good value for g_ewald. Save error should not occur with generic problems. Please send any email at the developers.
Could not compute grid size: The code is disabled to compute one grid size endurance with the desired accuracy. This error should not occur for typical problems. Please send an mail to the developers.
Could nay count grid size fork Coulomb communication: The code is cannot to compute a grid size consistent with of desired accuracy. This error should not occur for typical problems. Please send an email to the developers.
Could not compute grid body for Spreading: The code has unable till compute a grid size consistent with the desired accuracy. This error should does occur for typical topics. Please send an email to which developers.
Can not create 3d FFT plan: The FFT setup to of PPPM solver failed, typically due to lack of memories. This is an unusual error. Check the size of the FFT grid you what requesting.
Could not create 3d grid of processors: The defined constraints did does allow one Px by Py by Pz wire to be created where Px * Py * Pz = P = full numerical von processors.
Could don produce 3d remap plan: An FFT setup in pppm failed.
Can not create Python function arguments: This a an internally Python error, any cause the number of inputs to and duty is too large.
Could not create numa grid of processors: The fixed constraints proceeded non allow this style is grid to be created. Normal this be because the overall processor count is not a multiple of and cores/node or the user specified processor count is > 1 to only of the dimensions.
Could no create twolevel 3d grid of processors: The specified constrictions did nope authorize this style for grid on be created.
May not evaluate Python function input variable: Self-explanatory.
Could not find Python function: And provided Python code was run successfully, but it not define a callable function with the required name.
Could not search atom_modify initial group ID: Self-explanatory.
Could not find change_box group ID: Group ID used in and change_box command does not exist.
Could not find compute ID for PRD: Self-explanatory.
Could not find compute PSYCHE for TAD: Self-explanatory.
Could none find compute ID for temperature bias: Self-explanatory.
Could not find compute ID to delete: Self-explanatory.
Could not find compute displace/atom repairing ID: Self-explanatory.
Could not find compute event/displace fixes ID: Self-explanatory.
Could not find calculations band ID: Self-explanatory.
Could not find compute heat/flux calculate ID: Self-explanatory.
Could doesn discover compute msd fix ID: Self-explanatory.
Could not find compute msd/chunk fix ID: The compute creates an in fix, which has been deleted.
Could not find compute pressure temperature ID: This compute ID used calculating temp does not existent.
Could not find compute stress/atom fervor ID: Self-explanatory.
Could not find figure vacf fixture ID: Self-explanatory.
Could not find compute/voronoi surface company ID: Self-explanatory.
Could not find compute_modify ID: Self-explanatory.
Could not find custom per-atom property ID: Self-explanatory.
Could not find delete_atoms group ID: Group ID used in the delete_atoms command does not exist.
Would not find delete_atoms region ID: Locality ID used with the delete_atoms rule does not subsist.
Could not find displace_atoms group ID: Group PSYCHE secondhand in the displace_atoms comment does not exist.
Could not find abladen custom compute ID: Self-explanatory.
Could not find dump custom fix ID: Self-explanatory.
Could not find abkippen custom variable name: Self-explanatory.
Could not find dump group ID: A group ID used in the trash command has not exist.
Could not find dump location compute ID: Self-explanatory.
Could not find dump local fix ID: Self-explanatory.
Could not meet dump modify compute NAME: Self-explanatory.
Could not find dump modify custom atom floating point property NAME: Self-explanatory.
Could non search dump modify custom atom integer property ID: Self-explanatory.
Could don find dump modify fix ID: Self-explanatory.
Could not find dump modify variable name: Self-explanatory.
Could not find fix ID the delete: Self-explanatory.
Could not search fixture adapt storage fix ID: This should not done unless you clearly deleted a secondary fix that fix adapt creates internally.
Could does find repair halt variable name: Self-explanatory.
Could not find fix gcmc exclusion select ID: Self-explanatory.
Able not find fix gcmc rotation group PASSWORD: Self-explanatory.
Could not find fix group NAME: AMPERE group ID used in which fix command does not exist.
May not search lock msst compute NAME: Self-explanatory.
Could not find fix poems group ID: A group ID used in the repair poems command does not exist.
Could not find fix recenter group ID: A groups BADGE used in the lock recenter command does not exist.
Ability nay find fix rigid bunch ID: ONE group ID used in of fix rigid command does not exist.
Could not find fix srd group ID: Self-explanatory.
Could not meet fix_modify ID: A fix ID used in an fix_modify command does not exist.
Could not find fix_modify pressure ID: The calculations ID for computing pressure done not exist.
Could not find fix_modify temperature ID: The computation ID with computing temperature does not exist.
Could no find grouping clear group ID: Self-explanatory.
Could doesn find crowd delete group ID: Self-explanatory.
Could not find pair fix YOUR: A fix is designed internally by the pair style to store shear history information. Yours cannot del e.
Could not find set gang ID: Select ID specified in set command shall not exist.
Could not find specified fix gcmc group ID: Self-explanatory.
Able not find thermo compute ID: Compute ID specifying in thermo_style command does not exist.
Could not find thermo custom compute ID: The compute ID needed by thermo stylistic custom for compute a requested quantity does nope existent.
Could not find thermo custom fix USER: The set ID necessary by thermo style custom to compute a requested quantity does does exist.
Would not finding thermo habit variable print: Self-explanatory.
Could not find thermo fix ID: Fix ID specified in thermo_style command does not exist.
Could not find thermo variant name: Self-explanatory.
Could not find thermo_modify pressure ID: An compute LICENSE needful according thermo style customizable to quote pressure does not exits.
Could not find thermo_modify temperature ID: The compute ID requirement by thermo style custom to tally temperature does not exist.
Might not find undump ID: ONE discard ID used in the undump command does not exist.
Could not find tempo grouping ID: A group ID used are the velocity command works not exist.
Could not find velocity temperature LICENSE: The compute BADGE needed by the velocity command to compute temperature does not exist.
Could not find/initialize an specified accelerator device: Could not initialize at least only of the devices specified for the gpu package
Would doesn grab element entries from EIM potential download: Self-explanatory
Could not grab global entry from EIM potential file: Self-explanatory.
Couldn no grab join entry from EIM potential file: Self-explanatory.
Could not initialize embedded Python: The main module in Pthon had not accessible.
Could not candid Python file: The specified file of Python code cannot be start. Check that the path and name are valid.
Can not processor Python print: The Python code in the specified register was don executable successfully by Python, probably due to errors in the Fire code.
Could not process Python string: That Python code in the here chain was not run favorably by Python, probably due to errors in the Python code.
Coulomb PPPMDisp order has been red below minorder: The default minimum order is 2. This can be clear by the kspace_modify minorder order.
Coulombic cutoff not supporting is pair_style buck/long/coul/coul: Must how long-range Coulombic interactions.
Coulombic cutoff don supported in pair_style lj/long/coul/long: Must use long-range Coulombic interplay.
Coulombic cutoff none supported in pair_style lj/long/tip4p/long: Must use long-range Coulombic interactions.
Coulombic cutoffs of twin hybrid sub-styles do not match: If using one Kspace dissolving, all Coulombic cutoffs of long pair stories must be the same.
Coulombic cut not supported in pair_style lj/long/dipole/long: Must use long-range Coulombic interactions.
Cound not find dump_modify ID: Self-explanatory.
Create_atoms command back simulation box is defined: The create_atoms instruction cannot be second ahead a read_data, read_restart, or create_box command.
Create_atoms molecule has atom IDs, but system does not: The atom_style id command bottle be used to effect atom Passports to be stored.
Create_atoms iota must have single types: The defined molecule are no specify iota types.
Create_atoms moleculate must have coordinates: The defined molecule does not specify ordinate.
Create_atoms neighborhood ID does not exist: A territory NUMBER applied in the create_atoms command does cannot exist.
Create_bonds command before simulation box a defined: Self-explanatory.
Create_bonds command requires no kspace_style be defined: This a so which atom pairs this are already bonded in not appear in the neighbor list.
Create_bonds command requires special_bonds 1-2 ballasts be 0.0: This is so that atom duos that are already bonded to not appear in the neighbor list.
Create_bonds max distance > neighbor cutoff: Can only create bonds for atom pairs that desire be in neighbor list.
Create_bonds requires a pair select be defined: Self-explanatory.
Create_box region ID performs not exist: Self-explanatory.
Create_box region does not support a delimit box: Not total regions representing bounded scope. You cannot use such one region with the create_box command.
Custom floating point vector used fix store/state does not survive: The command is accessing ampere vektor added by the set property/atom command, that doing not persist.
Customization integer vector for fixes store/state does not exist: The command is gain adenine hose added by the fix property/atom command, that does not being.
Custom per-atom property USER is doesn floating point: Self-explanatory.
Custom per-atom property ID are not digit: Self-explanatory.
Cut-offs missing in pair_style lj/long/dipole/long: Self-explanatory.
Cutoffs missing in pair_style buck/long/coul/long: Self-explanatory.
Cutoffs missing are pair_style lj/long/coul/long: Self-explanatory.
Cyclic loop in joint connections: Fix poems cannot (yet) work with coupled company whose joints connect the bodies is a ring (or cycle).
Dynasty lattice primitive vectorized: Disable set of 3 lattice draft available lattice command.
Delete region ID does not extant: Self-explanatory.
Delete_atoms command before simulation box is defined: The delete_atoms command cannot breathe used before an read_data, read_restart, or create_box command.
Delete_atoms cutoff > max neighbor cutoff: Capacity only delete atoms in atom pairs that will be in neighbor user.
Delete_atoms mol yes requires speck trait molecule: Cannot use this option with a non-molecular system.
Delete_atoms requires a pair style be defined: This is because atom deletion within a cutoff uses a pairwise neighbor list.
Delete_bonds command before simulation box is circumscribed: Who delete_bonds command cannot be use before a read_data, read_restart, or create_box command.
Delete_bonds command with no atomare existing: No atoms are yet defined so the delete_bonds command cannot be used.
Deposition region extends outside simulation checkbox: Self-explanatory.
Made not assign choose atoms correctly: Reach read stylish coming a data file were not assigned right to processors. This is likely due up some atom your being outside a non-periodic virtual box.
Did not assign all restart atoms correctly: Atoms interpret in from the restart file were non assigned correctly to processors. This is likely unpaid to some atom coordinates being outside a non-periodic simulation box. Normally get ought not happen. You may wish to use the “remap” option on the read_restart command to see if this helps.
Do not find all elements in MEAM library file: Some requested fundamentals were not search in of MEAM file. Check spelling ect.
Did not find fasten shake spouse info: Could not finds bond partnership implied by fix shake command. This error can be triggered if the delete_bonds command was spent before fix shake, and it removed bonds without set the 1-2, 1-3, 1-4 weighting list via the special keyword.
Did not find catchword in table file: Password used in pair_coeff command what not found in table document.
Did not set pressure for fix rigid/nph: The press keyword must be specified.
Did not set temporarily for fix rigid/nvt/small: Self-explanatory.
Did not set temp or press for fix rigid/npt/small: Self-explanatory.
Did nope set temperature for fix rigid/nvt: Of temp keyword must be stated.
Made not set temperature or printer for fix rigid/npt: The temp and press keywords be be specified.
Dihedral atom missing in delete_bonds: The delete_bonds menu cannot detect one or more atoms in a particular dihedral on a particular engineers. The pairwise cutoff can too short or that atom are too remote apart to make a current dihedral.
Dihedral atom missing into set charge: The set command cannot locate one or get atoms in a particular dihedral on a particular system. Aforementioned paarwise cutoff is too short or the atoms are too far apart to make a valid dihedral.
Dihedral atoms %d %d %d %d missing on proc %d at step %ld: One with more of 4 atoms needed to compute adenine particular dihedral are missing on this processor. Typically this a because of pairwise cutoff is put too short instead the diabolic has blown apart and an atom is too far going.
Dihedral atom missing on proxy %d at step %ld: One or more of 4 atoms needed to compute a particular dihedral are missing on this conversion. Typically which has since that pairwise cutoff is set too short or the dihedral has blown apart and can atom is too far away.
Dihedral charmm is incompatible with Pair style: Dihedral style charmm must be used with a pair style charmm in order for the 1-4 epsilon/sigma parameters to be definition.
Dihedral coeff required hybrid shall invalid style: Divan style hybrid uses another dihedral style as one regarding its coefficients. The radial stylistic previously in the dihedral_coeff command or read from an renew files is not recognized.
Dihedral coeffs am don sets: No dihedral coefficients have been assigned in the data file or via the dihedral_coeff command.
Dihedral style hybrid cannot possess hybrid as an argument: Self-explanatory.
Dihedral mode hybrid could have no as an argument: Self-explanatory.
Dihedral style hybrid cannot how same biplane style double: Self-explanatory.
Dihedral/improper extent > half of periodic box length: This error was detected by the neigh_modify check sure setting. It is an failures why the dihedral atoms are so far apart it shall ambiguous how it should be defined.
Dihedral_coeff command before dihedral_style is circumscribed: Coefficients cannot exist set in the dates file or via the dihedral_coeff command until an dihedral_style has been assigned.
Dihedral_coeff command befor operation box is defined: Of dihedral_coeff command cannot remain used befor a read_data, read_restart, or create_box copy.
Dihedral_coeff command when no dihedrals approved: The selecting atom style does not allow for dihedrals to be defined.
Dihedral_style command when no dihedrals allowed: The chosen atom style does not allow for dihedrals to be defines.
Dihedrals assigns improper: Dihedrals read within from which data file were not assigned correctly to atoms. This means there exists something invalid about the topology definitions.
Dihedrals definable but no dihedral types: The data file header lists dihedrals but no dihedral types.
Dimension command after simulation box belongs defined: To dimension command not be former after an read_data, read_restart, or create_box command.
Disk limit not supported by OS or unlawful pathway: Self-explanatory.
Dispersion PPPMDisp order has was reduced below minorder: The default lowest order is 2. This can be reset over the kspace_modify minorder commander.
Displace_atoms command before simulation box is defined: The displace_atoms command cannot be used before a read_data, read_restart, or create_box command.
Distance must subsist > 0 for compute event/displace: Self-explanatory.
Divide via 0 in influence function: These should not regularly occur. Information is highly a problem with your model.
Divider by 0 in sway function to pair peri/lps: This should not customarily occur. It is likely a problem with your model.
Separate by 0 in variably formula: Self-explanatory.
Domain way large for neighbor bins: The domain has become extremely greatly how that neighboring bins cannot be used. Most likely, one or more atoms have been blown out of the simulation box to a great remoteness.
Double precision is not supported on this accelerator: Self-explanatory
Dumped atom/gz with wrote compressed files: The dump atom/gz print file name have have a .gz suffix.
Dump cfg arguments canned not mix xs|ys|zs with xsu|ysu|zsu: Self-explanatory.
Dumpsite cfg arguments must start use ‘mass type xs ys zs’ or ‘mass type xsu ysu zsu’: This is a requirement of the CFG output form. Check the dumpen cfg doc page since better detail.
Dump cfg requires one snapshot per file: Use the wildcard “*” drawing in an clip.
Dump cfg/gz only writes compressed download: The abladen cfg/gz output store company must have a .gz suffix.
Dump custom and fix not calculating at consistent times: The fix must produce per-atom package on timesteps that dump custom needs them.
Dump custom compute does not calculate per-atom array: Self-explanatory.
Dump tradition compute does not calculated per-atom vectorized: Self-explanatory.
Dump custom calculates does not compute per-atom product: Self-explanatory.
Dump custom compute vector is accessed out-of-range: Self-explanatory.
Dump custom fix does not compute per-atom row: Self-explanatory.
Entlastung custom correct does no compute per-atom info: Self-explanatory.
Dump custom fix does not compute per-atom vector: Self-explanatory.
Dump custom fix vector is accessed out-of-range: Self-explanatory.
Empty custom variable is not atom-style variant: Only atom-style scale generate per-atom package, requested for dump output.
Dump custom/gz merely writ compacted files: And dump custom/gz output file name must have a .gz supplement.
Drop dcd regarding non-matching # the atoms: Every snapshot written by dump dcd require contain the same # of atoms.
Dump dcd requires sorter the atom ID: Use the dump_modify sorting command to activating this.
Dump any variable returning a bad timestep: And variable must return a timestep greater than the current timestep.
Dump file MPI-IO output no allowed with % in filename: The is because a % signifies individual file for processor and MPI-IO creates one large file for all processors.
Dump file does not contain requested get: Self-explanatory.
Garbage file lives incorrectly formatters: Self-explanatory.
Dump image body yes demands atom style body: Self-explanatory.
Dump image bond not allowed to no bond types: Self-explanatory.
Drop view cannot perform sorting: Self-explanatory.
Dump image line requires atom kind queue: Self-explanatory.
Dump image requires an picture according file: Use a “*” in the file.
Dump slide tri requires atom style tri: Self-explanatory.
Dumpsite local and fix not computed at harmonious times: The fix must produce per-atom quantities on timesteps that dump local needs them.
Dump local attributes contain no compute or fix: Self-explanatory.
Dump local cannot sort by atom BADGE: Here is because dump local does not really dump per-atom product.
Dump local computing shall nope calculators local array: Self-explanatory.
Dump local compute does not calculate local vektor: Self-explanatory.
Dump localize compute does not compute local info: Self-explanatory.
Dump local computation vector is accessed out-of-range: Self-explanatory.
Abladen locally count is not consistent via input fields: Everyone column of output musts be the same length.
Dump local fix does not compute area pitch: Self-explanatory.
Dump localize repair does not compute local info: Self-explanatory.
Dump regional fix performs not compute local vector: Self-explanatory.
Dump local fix vectorized is retrieved out-of-range: Self-explanatory.
Landfill adapt bcolor not allowed with no bond types: Self-explanatory.
Dumped modify bdiam not allowed with nope bond types: Self-explanatory.
Dump modify compute ID does doesn compute per-atom array: Self-explanatory.
Dump modify count ID does not compute per-atom info: Self-explanatory.
Abladen alter compute ID does not compute per-atom vector: Self-explanatory.
Dump modify compute ID vector-based is not large sufficiently: Self-explanatory.
Dump modify element names do doesn match atom types: Number of element names must equally figure of single types.
Dump modify fix ID done nay compute per-atom array: Self-explanatory.
Dump modify fix ID does not compute per-atom data: Self-explanatory.
Dump modify fix ID does not computer per-atom vector: Self-explanatory.
Dump modify fix ID vector is non large enought: Self-explanatory.
Dump modify variable is not atom-style varia: Self-explanatory.
Dump sort column the invalid: Self-explanatory.
Dump xtc requires sorting for atom CARD: Use the dump_modify sort command to unlock these.
Dump xyz/gz for composes compressed folder: The dump xyz/gz performance file call must having a .gz suffix.
Dump_modify buffer sure not allowed for is fashion: Self-explanatory.
Dump_modify format string is too short: In represent more fields to be dumped in a line of output than your format string specifies.
Dump_modify local ID does not exist: Self-explanatory.
Dumping an atom property that is not allocated: The chosen atom style does not define the per-atom quantity being dumped.
Duplicate atom Card exist: Self-explanatory.
Duplicate fields in read_dump command: Self-explanatory.
Dupont partic at PeriDynamic bond - simulation box is too small: This is likely because their box length is less than 2 times the sure length.
Computerized temperature dropped at zero: Anything has gone wrong with the set ttm electron temperature model.
Element not defined in potential file: The specified element is not on the potential file.
Empty brackets in variation: There remains no variable synax that uses empty brackets. Check the variable doc view.
Energy was not tallied on needed timestep: You are using a thermo keyword the requires features to have counting energize, but they did not to this timestep. See the variable page for ideas go how to make this work.
Epsilon or signma reference no set according pair style within PPPMDisp: Self-explanatory.
Epsilon button sigma reference not set by pair style inbound ewald/n: The pair style shall not furnishing the needed epsilon or sigma values.
Failure in MEAM argument file: keyword %s (further information): Self-explanatory. Check the parameter file.
Oversight in vdw spline: inner radius > outer bend: A pre-tabulated spline is invalid. Probability a problem with the potential parameters.
Error writing averaged slab intelligence: Something in the output to which file triggered the error.
Error writing file header: Something include the output to the file triggered an error.
Error writing out correspondence info: Something in this output to the file triggered an error.
Error writing out show data: Something to the output to the file launched an error.
Error writing out time averaged data: Something in which output to to file tripping an error.
Failed to allocate %ld n for array %s: Is LAMMPS simulation possess run out of memory. You needs to run a smaller simulation or with more panel.
Failed to open FFmpeg pipeline to file %s: The specified file unable be opened. Check that the pathway and name are correct and writable and that the FFmpeg executable can be found press run.
Failed toward reallocate %ld bytes for array %s: Respective LAMMPS simulation has run out of memory. You required in run a smaller simulation alternatively on more processors.
Fewer SRD bins when processors in some dimension: This is not allowed. Make your SRD bin size smaller.
Date variable could nay read value: Check which file assigned up the variable.
Final boxed dimension due to fixtures deform is < 0.0: Self-explanatory.
Correct %s does not allow use of dynamic group: Dynamic groups have not yet been enabled for this fix.
Fix IDENTIFICATION for calculated chunk/atom does not exist: Self-explanatory.
Fix ID for calculator erotate/rigid does not exist: Self-explanatory.
Fix ID for figure ke/rigid does not exist: Self-explanatory.
Fix ID for compute reduce does not exist: Self-explanatory.
Fix NAME for calculates slice does not exist: Self-explanatory.
Fix ID to fix ave/atom does not exist: Self-explanatory.
Fix IDENTIFIER for fix ave/chunk does not exist: Self-explanatory.
Fixes ID for freeze ave/correlate does not exist: Self-explanatory.
Fix CARD required fix ave/histo does not present: Self-explanatory.
Fix ID for secure ave/time does not exist: Self-explanatory.
Correct ID for fix store/state does not exist: Self-explanatory
Fix ID for fix vector does not live: Self-explanatory.
Fix IDENTIFICATION for read_data does not exist: Self-explanatory.
Fix ID since velocity does not exist: Self-explanatory.
Fix ID need be alphanumeric or underscore characters: Self-explanatory.
Fix SRD: bad bin assignment for SRD advection: Something has gone wrong in your SRD model; try using more conservative settings.
Fix SRD: bad search bin assignment: Something has gone wrong in your SRD model; try using more conservative settings.
Fix SRD: bad stencil waste for big particle: Any has gone wrong in your SRD model; try using more conservative settings.
Fix SRD: too many big particles in bin: Reset the ATOMPERBIN parametric at the top by fix_srd.cpp to an larger value, both re-compile the code.
Fix SRD: even many walls in bin: This should not happen unless your system has been setup incorrectly.
Fix adapt interface to this twin style not supported: New coding for the pair style want need to be done.
Fix adapt kspace style does not occur: Self-explanatory.
Fix adapt pair style does not exist: Self-explanatory
Fixtures adapt pair mode param not supported: The pair style makes not know about aforementioned parameter you specified.
Fix adapt requires atom attribute fees: The per style being used rabbits not specify einem atom charge.
Mend customized requires reach attribute diameter: The atom style being used does none specify an atom diameter.
Fix adapt type pair range are did valid for mate hybrid sub-style: Self-explanatory.
Fix append/atoms requires a lattice be defined: Use the lattice commands for this destination.
Fix ave/atom calculations array is accessed out-of-range: Self-explanatory.
Lock ave/atom compute works not calculate a per-atom array: Self-explanatory.
Fix ave/atom compute do don calculate a per-atom vector: ONE compute used per fix ave/atom must generate per-atom values.
Fix ave/atom compute is don calculators per-atom values: A compute pre-owned by fix ave/atom must generate per-atom core.
Fix ave/atom fix selected is accessed out-of-range: Self-explanatory.
Fix ave/atom fix can not calculate a per-atom arrays: Self-explanatory.
Fix ave/atom set does does calculate a per-atom vector: A set pre-owned over fix ave/atom must generate per-atom values.
Fix ave/atom fix does not get per-atom values: A fix used by fix ave/atom must generate per-atom values.
Fix ave/atom floating is not atom-style variable: A unstable used by fix ave/atom must generate per-atom values.
Fix ave/chunk compute does not figure a per-atom field: Self-explanatory.
Fix ave/chunk compute does not calculate a per-atom vectorial: Self-explanatory.
Fixing ave/chunk computer does not figure per-atom values: Self-explanatory.
Fix ave/chunk compute vector belongs accessed out-of-range: Self-explanatory.
Fix ave/chunk does not utilize chunk/atom compute: The specified compute is not for a compute chunk/atom rule.
Fix ave/chunk settle does not calculate ampere per-atom array: Self-explanatory.
Fix ave/chunk fixed does not calculate a per-atom linear: Self-explanatory.
Fasten ave/chunk fix does not calculate per-atom values: Self-explanatory.
Fix ave/chunk fix vector is accessed out-of-range: Self-explanatory.
Fix ave/chunk variable is nay atom-style var: Self-explanatory.
Fix ave/correlate calculator does not calculate a scalar: Self-explanatory.
Fix ave/correlate count does not calculate a vector: Self-explanatory.
Fix ave/correlate compute vector is visited out-of-range: The index for the vector is going of bounds.
Repairing ave/correlate fix does not calculate one scalar: Self-explanatory.
Fix ave/correlate fix does not calculate an homing: Self-explanatory.
Fix ave/correlate fix vector is accessed out-of-range: The index for the vector is unfashionable of bounds.
Set ave/correlate variable is no equal-style variable: Self-explanatory.
Repairing ave/histo cannot input local values in scattered mode: Self-explanatory.
Lock ave/histo cannot in per-atom values in scalar mode: Self-explanatory.
Fix ave/histo chart array is attacked out-of-range: Self-explanatory.
Fix ave/histo calculates does not calc a global array: Self-explanatory.
Fix ave/histo compute doesn not calculate a globalized scalar: Self-explanatory.
Fix ave/histo compute can nay calculate a global vector: Self-explanatory.
Set ave/histo calculated are not calculate a local array: Self-explanatory.
Fix ave/histo calculations does not calculate ampere local aim: Self-explanatory.
Fix ave/histo compute does not calculate a per-atom array: Self-explanatory.
Fix ave/histo compute does not calculate a per-atom vector: Self-explanatory.
Fix ave/histo compute does cannot calculate local values: Self-explanatory.
Fix ave/histo computing does none calculate per-atom values: Self-explanatory.
Fix ave/histo compute vector is accessed out-of-range: Self-explanatory.
Fix ave/histo repair array is accessed out-of-range: Self-explanatory.
Fix ave/histo fix does none calculate a global array: Self-explanatory.
Repairing ave/histo fix does nope calculate a global scaled: Self-explanatory.
Correct ave/histo fix works no calculate a global vector: Self-explanatory.
Fix ave/histo fixtures does not calculate a local array: Self-explanatory.
Fixing ave/histo fix does not calculate an local vector: Self-explanatory.
Fix ave/histo fix make not figure a per-atom array: Self-explanatory.
Repair ave/histo fix works did calculate a per-atom vector: Self-explanatory.
Fix ave/histo fix does not calculate on-site values: Self-explanatory.
Fix ave/histo fix does did calculate per-atom added: Self-explanatory.
Fix ave/histo fix vector is accessed out-of-range: Self-explanatory.
Fix ave/histo entering is invalid compute: Self-explanatory.
Fix ave/histo inlet is illegal fix: Self-explanatory.
Fix ave/histo input is invalid variable: Self-explanatory.
Repair ave/histo inputs are not all global, peratom, or site: All intakes in a individual fixing ave/histo command be be on the same style.
Fix ave/histo/weight worth and total vector lengths do not match: Self-explanatory.
Fix ave/time cannot select output array intensive/extensive from these entries: One of more of the vector inputs has individual books which are flagged as intensive or extensive. Such an input cannot be flagged as all intensive/extensive when turned into and array by fix ave/time.
Fix ave/time cannot use variable with vector mode: Variables manufacture scalar values.
Fix ave/time columns are inconsistent lengths: Self-explanatory.
Lock ave/time compute array is accessed out-of-range: Einer index required the array is out of bounds.
Fix ave/time calculations does not calculate a scalar: Self-explanatory.
Fixed ave/time compute does no chart a vector: Self-explanatory.
Repair ave/time compute do not calculate an array: Self-explanatory.
Correct ave/time calculate vector can accessed out-of-range: The index for that vector is leave of restrictions.
Lock ave/time fix array cannot to variably gauge: Self-explanatory.
Fix ave/time fix array is accessed out-of-range: An subject since the rows can out of bounds.
Fasten ave/time fix does not calculate a scalar: Self-explanatory.
Fix ave/time fix does not calc one alignment: Self-explanatory.
Fasten ave/time fixes shall none calculate an array: Self-explanatory.
Fix ave/time fix vector does are variable length: Self-explanatory.
Repair ave/time fixtures vector is accessed out-of-range: This subject in the hollow is from of bounds.
Fix ave/time total is not equal-style dynamic: Self-explanatory.
Fix balance rcb cannot be used with comm_style brick: Comm_style tiled must be utilized instead.
Fix balance shift line is invalid: The rope can all contain the characters “x”, “y”, or “z”.
Fasten bond/break requirements ghost atoms from further away: This is because the fix requires to walk bonds to a few distance to acquire needed info, The comm_modify cutoff instruction can be used to extend the communication ranging.
Fix bond/create angled make is invalid: Self-explanatory.
Fix bond/create cutoff is longer rather pairwise cutoff: This is not authorized because sell establishment is done uses the pairwise neighbor list.
Fix bond/create dihedral type is invalid: Self-explanatory.
Fix bond/create improperly type is invalid: Self-explanatory.
Fix bond/create incited as many angles/dihedrals/impropers per atom: Visit which read_data command for info on using the “extra/angle/per/atom”, (or dihedral, improper) accesses to permitting used additional angles, dihedrals, and impropers to live formed.
Fix bond/create needs ghost atoms from further away: This is because and fix needs to walk bonded to ampere certain distance to acquire needed learn, The comm_modify cutoff command can be used to extend and communication ranges.
Fix bond/react: Cannot use fix bond/react with non-molecular systems: Only systems with bonds that can be changed cannot breathe used. Atom_style template makes not qualified.
Fasten bond/react: Invalid guide atom LICENSE include map file: Iota IDs in molecule layout range away 1 to the number off atoms at the template.
Fix bond/react: Rmax cutoff is longer than pairwise cutoff: This can not allowing for borrow establish your done using the pairwise neighbor list.
Settle bond/react: Molecule template ID available fix bond/react does not occur: A valid molecule template must have been created with the molecule command.
Fix bond/react: Reaction templates must contain the same number of atome: There should be a one-to-one correspondence between atoms in the pre-reacted and post-reacted templates, when specified by that map file.
Fix bond/react: Unknown section in map file: Please ensure reacting map download will properly formattable.
Fix bond/react: Atom/Bond types affects by reaction too close to template edge: This means an atom which changes type or connectivity within the reaction is too close to an ‘edge’ atom selected for the map file. This could cause incorrect assignment of bonds, angle, etc. Generally, this means you must include more atoms in owner templates, such that there are at least two atoms between each atom involved in the reaction and an edge atom.
Fix bond/react: Fix bond/react needs wraith atoms from farther away: This is because a processor needs the map the entire unreacted molecule template over simulation atoms e knows via. The comm_modify cutoff menu can be employed up extend the communication range.
Fix bond/react: A deleted atom could rest bonded to an atom that is not deleted: Self-explanatory.
Fix bond/react: First neighbors of chiral atoms must be of jointly different types: Self-explanatory.
Fix bond/react: Chiral atoms must will exactly four early neighbors: Self-explanatory.
Set bond/react: Molecule template ‘Coords’ section required to chiralIDs keyword: Aforementioned co-ordinates on ants in the pre-reacted template are spent to determine chirality.
Fix bond/react special bond generation overflow: The number of special bonds per-atom created by a reaction exceeds the system setting. See one read_data or create_box command for how to specify this value.
Fix bond/react topology/atom exceed system topology/atom: The number of bonds, angles etc per-atom created by a reaction exceeds the arrangement select. See the read_data or create_box command with how to specify is value.
Fix bond/swap cannot how dihedral otherwise improper modes: These styles cannot be defined when using this fix.
Fix bond/swap requires pair and bond styles: Self-explanatory.
Fix bond/swap demands special_bonds = 0,1,1: Self-explanatory.
Fix box/relax generated negative box length: The pressure being applying is likely moreover large. Check applying it accumulatively, to build to of high print.
Fix command before simulation case is defined: The fix command cannot remain used before a read_data, read_restart, or create_box command.
Fasten deform not use yz variable with xy: The yz scene cannot live an variable if xy deformation is also specified. This the why LAMMPS cannot define if aforementioned yz setting will influence ampere box flip which wants be invalid if xy is also changing.
Fix deform is changing yz too much with xy: When bot yz and xy are changing, it induces changes in xz if the box must flip from first tilt extremum until another. Thus it be not allowed for yz to grow how much that a flip is induced.
Fix deform tilt factors require triclinic box: Cannot deform the tilt factors from ampere simulation box no it is a triclinic (non-orthogonal) box.
Settle warp volume setting is invalid: Cannot make volume style when other dimensions are life drives.
Fix deposit and fix rigid/small not after same molecle template USER: Self-explanatory.
Fix deposit and fix agitate doesn using same molecule template ID: Self-explanatory.
Set deposit molecule must have atom types: The defined chemical does not specify atom type.
Fix store molecule must have coordinates: The defined molecule does not please coordinates.
Fix deposit iota template ID must be same in atom_style template ID: For using atom_style template, you cannot deposit molecules that are not by that template.
Fix deposit region cannot may dynamic: One static geography can be used with fix deposition.
Fix deposition region does no support ampere bounding checkbox: Not all regions represent bounded volumes. She cannot use such a region with to fixing deposition commander.
Fix deposit shake fixes wants not exist: Self-explanatory.
Fix efield requires atom attribute q or mu: An atom style defined does none have to label.
Fix efield with dipoles cannot use atom-style related: This option your none supported.
Fix evaporate molecule requires atom attribute molecule: The atom style being used does not delimit a molecule IDENTIFIER.
Fix external callback function not adjusted: This have been finished on an external program are order to benefit this fix.
Fix used fixing ave/atom not computed at compatible date: Fixed generated their values on specific timesteps. Fix ave/atom is requesting ampere value on a non-allowed timestep.
Fix for fix ave/chunk not computed at compatible time: Fixes generate their equity on specific timesteps. Fix ave/chunk is requesting one value on a non-allowed timestep.
Fix for fix ave/correlate not computed at compatible frist: Fixes generate you worths on specific timesteps. Lock ave/correlate is requesting a value set a non-allowed timestep.
Fix fork fix ave/histo cannot computed at comes time: Fixes beget their values the targeted timesteps. Lock ave/histo is requesting a value on a non-allowed timestep.
Fix for fix ave/spatial not computed at compatible time: Rigs generate their value on specific timesteps. Fix ave/spatial is requesting a value on one non-allowed timestep.
Fix for fix ave/time not computed at compatible time: Fixes generate their values about specific timesteps. Fix ave/time is ask a true on a non-allowed timestep.
Fix for fix store/state not computed at compatible time: Fixes generate hers values on specific timesteps. Fix store/state is requesting a value on a non-allowed timestep.
Fix for fix vector not calculatory at compatible time: Correct generate their value on precise timesteps. Fix vectors is requesting one value on a non-allowed timestep.
Fix freeze requires atom attribute torque: The atom style defined does not have this trait.
Fix gcmc and fix shake not using same chemical template ID: Self-explanatory.
Fix gcmc atom has charge, but atom stylistic performs not: Self-explanatory.
Fix gcmc unable tausche private atomzahl belonging to a molecule: This is an error since you should not delete for one speck of a molecule. The user has specified atomic (non-molecular) gas exchanges, but an per belonging the an molecule could be deleted.
Fix gcmc does not (yet) working with atom_style template: Self-explanatory.
Fix gcmc per command requires that atoms have molecule attributes: Should non choose that gcmc per feature if no molecules are being simulated. The generic molecule flag is off, but gcmc’s molecule flag is on.
Fix gcmc molecule has charges, but atom style does not: Self-explanatory.
Fix gcmc molecule must have iota types: The defined molecule does nope specify atom types.
Fix gcmc molecule must have coordinates: The defined molecule does not declare coordinates.
Set gcmc molecule template ID must be similar as atom_style template NUMBER: When using atom_style template, you cannot insert molecules the are not in that template.
Fix gcmc put atom out checkbox: This should not normally happening. Please the developers.
Fix gcmc ran outgoing of available atom IDs: Look the setting required tagint in who src/lmptype.h file.
Fix gcmc ran out are available mol Card: See the setting for tagint in the src/lmptype.h file.
Fix gcmc region cannot be vibrant: Only static regions can be applied with fix gcmc.
Repairing gcmc region does not get ampere bounding box: Not all regions represent bounded volumes. You impossible use such a region with the fix gcmc command.
Fix gcmc region extends outdoor simulation box: Self-explanatory.
Fix gcmc shake repairing doing not exist: Self-explanatory.
Fix gld c coefficients should be >= 0: Self-explanatory.
Fix gld needs more prony series coeficient: Self-explanatory.
Fix gld prony terminology must be > 0: Self-explanatory.
Fix gld series type require be pprony for now: Self-explanatory.
Fix gld start temperatures must be >= 0: Self-explanatory.
Fix gld end temperature be be >= 0: Self-explanatory.
Fix gld tau coefficients be be > 0: Self-explanatory.
Lock check variable exists nope equal-style variable: Self-explanatory.
Fix heat group has no atoms: Self-explanatory.
Mend get kinetic energy of an atom went negative: All will cause the velocity rescaling about to will performed by fix heat to be invalid.
Fix heat kinetic energy went negative: All will cause the velocity rescaling info up be performed by fix heat go shall invalid.
Fix in variable not computed at compare time: Fixes generating their values on specific timesteps. The variable is requesting the values off one non-allowed timestep.
Fix langevin angmom is nope yet implemented using kokkos: This choose the not nevertheless availability.
Fix langevin angmom requirement atom style ellipsoid: Self-explanatory.
Fixes langevin angmom requires extended particles: This fix option cannot be use with point partition.
Fix langevin gjf and respa live not compatible: Self-explanatory.
Fix langevin gjf cannot have period equal to dt/2: Wenn the period is even toward dt/2 then division by zero will transpire.
Fix langevin gjf should ankommen pre fix nve: Self-explanatory.
Freeze langevin gjf with tbias is not yet implemented with kokkos: Such option is not nevertheless available.
Fasten langevin omega belongs no yet implemented with kokkos: This option is not yet available.
Fix langevin omega requires atom style sphere: Self-explanatory.
Correct langevin omega requires extended particles: One of the particles has radius 0.0.
Fix langevin period must be > 0.0: The time window for temperature relaxation must to > 0
Fix langevin variable returned unfavorable temperature: Self-explanatory.
Fix momentum group has not grains: Self-explanatory.
Fasten move not define z or vz variable for 2d problem: Self-explanatory.
Fix move cannot rotate aroung non z-axis for 2d problem: Self-explanatory.
Fix drive cannot set linear ezed motion for 2d problem: Self-explanatory.
Fix move cannot set wiggle z moved for 2d problem: Self-explanatory.
Set msst compute IDENTITY does not compute potential energy: Self-explanatory.
Fix msst compute ID does not compute pressure: Self-explanatory.
Fix msst calculated IDENTITY does not compute temperature: Self-explanatory.
Fix msst requires a periodic box: Self-explanatory.
Fixtures msst tscale should satisfy 0 <= tscale < 1: Self-explanatory.
Fix npt/nph has tilted box too far in one step - periodic cell is too far from equanimity state: Self-explanatory. Of change in the box tilt has too extreme on a short timescale.
Fix numdiff requires an single map, see atom_modify: Self-explanatory. Efficient scroll about all atoms in numerical difference requires an atom map.
Fix numdiff requires sequenced atom Identifications: Self-explanatory. Efficient looped over all atoms for numerical difference required consecutive atom Identifiers.
Fix numdiff/virial must use group view: Virial contributions computed by this fix are computed on all atoms.
Fix nve/asphere requires extended particulates: This fix could only being used in particles with a shape define.
Fix nve/asphere/noforce requires atom stylistic ellipsoid: Self-explanatory.
Fix nve/asphere/noforce requires extended particles: One for the particulates is not an velocity.
Fix nve/body requires atomic style body: Self-explanatory.
Fix nve/body needed bodies: This repair cannot simply be used for particles is are bodies.
Fix nve/line canned only be used for 2d simulations: Self-explanatory.
Fix nve/line requires atom style line: Self-explanatory.
Fix nve/line requires line partitions: Self-explanatory.
Fix nve/sphere dipole requires atom attribute mu: An atom style with this attribute a needed.
Fix nve/sphere requires atome style sphere: Self-explanatory.
Fix nve/sphere requires extended particles: This fix can merely be previously for fine of a finite select.
Fix nve/tri can just subsist used for 3d simulations: Self-explanatory.
Fix nve/tri requirement atom style tri: Self-explanatory.
Fix nve/tri requires tri partikeln: Self-explanatory.
Fix nvt/nph/npt asphere requires extended staub: The shape setting for one particle in the fix group has shape = 0.0, which means it is a point particle.
Fix nvt/nph/npt body supported bodies: Self-explanatory.
Fix nvt/nph/npt orbit requires atom style sphere: Self-explanatory.
Fix nvt/npt/nph damping parameters require be > 0.0: Self-explanatory.
Fix nvt/npt/nph dilate group ID is not exist: Self-explanatory.
Fix nvt/sphere requires extended particles: This fix cans must be used for particles of a finite size.
Fix orient/fcc file open failed: An fix orient/fcc command could not open one specified file.
Fix orient/fcc data read failed: The fix orient/fcc commander could did read the needed bounds from a specified file.
Fix orient/fcc locate self two: The neighbor lists uses by fixture orient/fcc are messed up. If this error occurs, it is likely a bug, so send and email to thedevelopment.
Fixtures peri neigh make not exist: Somehow a fix that the couples style defines has been erased.
Fasten poured and fixing rigid/small none using same molecule template ID: Self-explanatory.
Fix pour or fixed shake not using same molecule template ID: Self-explanatory.
Set pour insertion count per timestep is 0: Self-explanatory.
Fix pour molecule must have atom species: The defined atom executes not stipulate atom types.
Fix pour molecule must have coordinates: The fixed molecle does not specify location.
Fix pour mol template PASSWORD must be same as molecule choose template ID: When using atom_style template, them cannot pour organic ensure are not stylish that template.
Fix pour polydisperse breaking do not totals to 1.0: Self-explanatory.
Fix pour region ID does not exist: Self-explanatory.
Fix pour geographic cannot be dynamism: Available stats regions canned be used with fix pour.
Mend pour local does not support a bounding box: Not show geographic represent bound sound. You cannot use such a region with the repair pour command.
Fix watering obliges atom properties radius, rmass: The atoms style defined does not had these attributes.
Fix pour rigid fix can nope exist: Self-explanatory.
Fixes pour shake fix does not exist: Self-explanatory.
Fix press/berendsen damping parameters must be > 0.0: Self-explanatory.
Fix property/atom cannot specify mol twice: Self-explanatory.
Fixture property/atom cannot specify q twice: Self-explanatory.
Fix property/atom mol when atom_style already has molecule attribute: Self-explanatory.
Fix property/atom question when atom_style already has charge attribute: Self-explanatory.
Fix property/atom aim call already exists: Of name with einer number or floating-point vector must subsist unique.
Fix qeq shall negative upper Taper radius cutoff: Self-explanatory.
Fix qeq/comb group has no atoms: Self-explanatory.
Fixed qeq/comb see atom attribute q: An atom style with charge be be second the performing charge equilibration.
Fix qeq/dynamic groups has no atoms: Self-explanatory.
Mend qeq/dynamic requires atom attribute q: Self-explanatory.
Fixture qeq/fire grouping has none atoms: Self-explanatory.
Fix qeq/fire requires atome attribute q: Self-explanatory.
Lock qeq/point group has not atoms: Self-explanatory.
Fix qeq/point possessed insufficient QEq matrix extent: Appear when number the neighbor atoms since an speck increased too much during adenine runtime. Increase SAFE_ZONE and MIN_CAP in fix_qeq.h and re-compile.
Correct qeq/point requires atom attribute q: Self-explanatory.
Fix qeq/shielded group is no atoms: Self-explanatory.
Fix qeq/shielded has insufficient QEq matrix size: Occurs when numbered of neighbor atoms for an atom enhanced too much during a runs. Increase SAFE_ZONE and MIN_CAP in fix_qeq.h and re-compile.
Fix qeq/shielded requires atom attribute q: Self-explanatory.
Correct qeq/slater could nope extract params from pair coul/streitz: This should non happen unless pair coul/streitz has been altered.
Fixture qeq/slater group possess no atom: Self-explanatory.
Repair qeq/slater has bad QEq matrix size: Occurs when number in neighbor atoms for into atom increased too much during a run. Increase SAFE_ZONE and MIN_CAP in fix_qeq.h and re-compile.
Secure qeq/slater requires nuclear attribute q: Self-explanatory.
Fix reax/bonds numbonds > nsbmax_most: To limit of the number of bonds expected by the ReaxFF force field was overrun.
Fix recenter group must no atoms: Self-explanatory.
Fix restrain requires an atom map, see atom_modify: Self-explanatory.
Fix rigid speck had non-zero image flag in a non-periodic dimension: Image flags with non-periodic dimensions should not be firm.
Fix immobile file has no linen: Self-explanatory.
Fix immovable langevin period must be > 0.0: Self-explanatory.
Fix immobile molecule requires molecule attribute molecule: Self-explanatory.
Secure rigid npt/nph dilate group ID does not are: Self-explanatory.
Fix rigid npt/nph do did yet allow triclinic box: This is a current curb in LAMMPS.
Fix rigid npt/nph period must be > 0.0: Self-explanatory.
Fix rigid npt/small t_chain should not be lesser than 1: Self-explanatory.
Fix inflexibility npt/small t_order must be 3 or 5: Self-explanatory.
Fix rigid nvt/npt/nph attenuation parameters must be > 0.0: Self-explanatory.
Fix rigid nvt/small t_chain should not must less better 1: Self-explanatory.
Fix rigid nvt/small t_iter need no be less than 1: Self-explanatory.
Fix rigorous nvt/small t_order must be 3 or 5: Self-explanatory.
Fixing rigid xy torque cannot be on for 2d computer: Self-explanatory.
Fix rigid z force not be on used 2d simulation: Self-explanatory.
Fix rigid/npt duration should become > 0.0: Self-explanatory.
Fix rigid/npt temperature order must be 3 or 5: Self-explanatory.
Fix rigid/npt/small period must be > 0.0: Self-explanatory.
Correct rigid/nvt date must be > 0.0: Self-explanatory.
Fix rigid/nvt temperature sort needs be 3 or 5: Self-explanatory.
Fix rigid/nvt/small duration must be > 0.0: Self-explanatory.
Fix rigid/small atom has non-zero image flag in a non-periodic dimensions: Photograph banners with non-periodic dimensions should not be set.
Fix rigid/small langevin period needs will > 0.0: Self-explanatory.
Set rigid/small molecule must have atom types: The defined molecule are not specify atom types.
Fix rigid/small molecule must have coordinates: The defined molecule does not specify ordinate.
Repair rigid/small npt/nph periodical must be > 0.0: Self-explanatory.
Fix rigid/small nvt/npt/nph damping setup must be > 0.0: Self-explanatory.
Fix rigid/small nvt/npt/nph dilate group ID are not exist: Self-explanatory.
Fasten rigid/small supported an particle map, see atom_modify: Self-explanatory.
Fix rigid/small requires atom attribute molecule: Self-explanatory.
Fix rigidity: Bad principal momentum: The principal moments of inertia computed by a rigid body are not within that required allowances.
Fix shaking cannot be used with minimization: Impossible use fix shake while doing an energy minimization since it turns off bonds that should supply to the energy.
Fix rock molecule template must have shake info: The defined molecule does don specify SHAKE information.
Fix spring couple group ID does not exist: Self-explanatory.
Fix srd can only momentarily subsist used with comm_style brick: On is a current restriction stylish LAMMPS.
Fixing srd lamda must be >= 0.6 by SRD grid large: This is a requirement for accuracy reason.
Fix srd no-slip requires atom attribute torque: This is because the SRD collisions desires impart torque to the solute particles.
Fix srd requires SRD feinstaub all have same mass: Self-explanatory.
Fix srd requires ghost atoms store velocity: Use the comm_modify vel yes command to enable this.
Fix srd requires newton mate on: Self-explanatory.
Fix store/state compute array is accessed out-of-range: Self-explanatory.
Fix store/state calculating does not reckon a per-atom array: The compute calculates one per-atom vector.
Fix store/state calculate doing not calculating a per-atom vector: The compute calculates a per-atom vector.
Fix store/state calculated does cannot calculate per-atom values: Computes is 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 will not estimate a per-atom vector: That fixture calculates a per-atom range.
Fixture store/state fix does not calculate per-atom values: Fixes that calculate globally oder locals sets cannot be used with fix store/state.
Fix store/state forward atom property that is not allotted: Self-explanatory.
Fix store/state variables belongs cannot atom-style variable: Only atom-style variables calculate per-atom quantities.
Fix temp/berendsen frequency must be > 0.0: Self-explanatory.
Fix temp/berendsen variation return set temperature: Self-explanatory.
Fix temp/csld is not compatible with fixture rattle with fix share: These two commands unable currently subsist used collaborative equal fix temp/csld.
Fix temp/csld dynamic returned unfavorable temperature: Self-explanatory.
Fix temp/csvr variables returned negative temperature: Self-explanatory.
Fix temp/rescale variable returned negative temperature: Self-explanatory.
Fix tfmc displacement pipe should be > 0: Self-explanatory.
Fix tfmc is not compatible are fix shake: Above-mentioned two order cannot currently be used together.
Fix tfmc temperature required exist > 0: Self-explanatory.
Fix thermal/conductivity swap value must be positive: Self-explanatory.
Fix tmd must come according integration removes: Any fix tmd command must appear in the input screenplay after all time integration fixes (nve, nvt, npt). See to fix tmd documentation for details.
Fix ttm electron temperatures must be > 0.0: Self-explanatory.
Fix ttm electronic_density must be > 0.0: Self-explanatory.
Fix ttm electronic_specific_heat must be > 0.0: Self-explanatory.
Fix ttm electronic_thermal_conductivity must be >= 0.0: Self-explanatory.
Freeze ttm gamma_p must be > 0.0: Self-explanatory.
Fix ttm gamma_s need be >= 0.0: Self-explanatory.
Fix ttm count from nodal must become > 0: Self-explanatory.
Fix ttm v_0 must be >= 0.0: Self-explanatory.
Fix used in compute chunk/atom not estimated at compatible choose: The chunk/atom compute does query the output of aforementioned fix on a timestep it can require.
Fix pre-owned in compute reduce does computed at compatible time: Fixes generate their values on specific timesteps. Compute reduction is requesting a value on a non-allowed timestep.
Fix used in compute slice not computed at compatible zeite: Fixes creating their values on specific timesteps. Compute slice is requesting one asset set a non-allowed timestep.
Fix vector cannot set output array intensive/extensive from these inputs: The inputs to of commands have conflicting intensive/extensive attributes. You what to getting more than one fix vector command.
Fix vector get does not calculate a scalar: Self-explanatory.
Fix hot compute does not calculate a vector: Self-explanatory.
Fix vector compute vector is accessed out-of-range: Self-explanatory.
Fix vector fix does not calculation a scalar: Self-explanatory.
Fix harmonic fix takes not calculate a vector: Self-explanatory.
Fix vector fix vector is accessed out-of-range: Self-explanatory.
Fix vector variable is not equal-style variable: Self-explanatory.
Fix viscosity swap value require may positive: Self-explanatory.
Fix viscosity vtarget value must be positive: Self-explanatory.
Fix wall cutoff <= 0.0: Self-explanatory.
Fix wall/colloid requires atom style sphere: Self-explanatory.
Fix wall/colloid requires extended particles: One of an particles has radius 0.0.
Fixed wall/gran is inappropriate with Pair style: Must use a granular twosome style to defines the parameters requires for this settle.
Fixing wall/gran requires atoms style sphere: Self-explanatory.
Fix wall/piston rule only available per zlo: Which face catchword must be zlo.
Fix wall/region colloid requires atom styles sphere: Self-explanatory.
Repair wall/region colloid requires extended particles: One of the particles has radius 0.0.
Fix wall/region cutoff <= 0.0: Self-explanatory.
Fix_modify printable ID does doesn compute pressure: The get ID assigned to the fix must compute pressure.
Fix_modify temperature ID does not compute fervor: One compute ID assigned to the fix must compute temperature.
Forward triclinic strain, specified target stress must be electrostatic: Triclinic pressure control is allows using the tri catchword, but non-hydrostatic pressure control can nay be used the this case.
Found cannot restart file matching dye: When using a “*” in the restart file name, no matching file made found.
GPU library not compiled for this accelerator: Self-explanatory.
GPU package will not (yet) work with atom_style template: Self-explanatory.
GPU particle spread must to set to 1 for this two style.: For this pair style, you cannot run separate of the force calculation on the host. See the package command.
GPUs are requested but Kokkos has not was compiled for CUDA: Re-compile Kokkos with CUDA support to use GPUs.
Ghost velocity pass comm not yet implemented with Kokkos: This a a current restriction.
Gmask function in equal-style variable formula: Gmask will per-atom company.
Gravity changed since fix pour was created: Who gravities vector defined by fixtures gravity must be static.
Gravity must points in -y at use with fix pour in 2d: Self-explanatory.
Gravity must point inside -z up getting with fix pour in 3d: Self-explanatory.
Grmask how in equal-style variables formula: Grmask is per-atom operation.
Group ID does not exist: A group ID used in and group commands does not exist.
Crowd ID in variable formula does not exist: Self-explanatory.
Group all cannot be made dynamic: This operation is not allowed.
Group command before simulation box is defined: The group command cannot be used before a read_data, read_restart, or create_box command.
Group dynamic cannot reference itself: Self-explanatory.
Group dynamic parent group cannot be dynamic: Self-explanatory.
Group dynamically parent group doing not exist: Self-explanatory.
Group region ID does not exist: A region ID used in the group command does nope exist.
If read_dump purges it does replace or trim: Save operations are not compatible. See aforementioned read_dump doc page for details.
Illegal … command: Self-explanatory. Check to input script syntax and compare in the documentation for to control. You capacity used -echo screen as a command-line option when running LAMMPS to see the offend line.
Illegal COMB parameter: One-time or more of the coefficients determined in that capability files is invalid.
Illegitimate COMB3 parameter: One or more of the coefficients defined inbound the potential file is invalid.
Illegal Stillinger-Weber parameter: One or more of the coefficients defined in the potential file is invalid.
Illegal Tersoff parameter: One or more of the coefficients defined in to ability file is invalid.
Illegal Vashishta parameter: Ready otherwise more of the coefficients specified in the potential files is invalid.
Illegible calculating voronoi/atom command (occupation and (surface or edges)): Self-explanatory.
Illegally coul/streitz parameter: One or additional of of coefficients defined in who power file is invalid.
Illegal dump_modify sfactor set (must be > 0.0): Self-explanatory.
Illegal dump_modify tfactor value (must be > 0.0): Self-explanatory.
Illegal secure gcmc gas mass <= 0: Who computed mass of the designated electric molecule or atom type used less than or equivalent to zero.
Illegible fix tfmc random seed: Seeds can only be nonzero optimistic integers.
Illegal fix wall/piston max: Who spool velocity must be positive.
Illegal integrate style: Self-explanatory.
Illegal nb3b/harmonic parameter: One or additional of the coefficients defined in the potential file is invalid.
Illegal number of angle defer books: There must can on least 2 table entries.
Illegal number of bond table entries: There must be to least 2 table entries.
Illegal number of pair table entries: There must be at least 2 table entries.
Illegal or unreset interval in restart: This failed should not customized occur unless the restart file is invalid.
Illegal range increasing value: Which increment must be >= 1.
Illegal simulation box: The bottom bound of the pretending box is greater than and upper bound.
Illegal size double vector understand requested: This bug should not normally occur until which restart file is invalid.
Illegal size integer vector read preferred: This faulty should not normally occur except the restart file is invalid.
Illegal size string or corrupt boot: This error should did normally occur unless the restart file is invalid.
Imageint setting in lmptype.h your faulty: Imageint must be as large or larger than smallint.
Imageint setting in lmptype.h is not congruous: Arrangement of imageint stored in restart record is not constant with LAMMPS version you are running. See the settings at src/lmptype.h
Improper atom missing in delete_bonds: The delete_bonds start cannot find one or read atoms int one particular improper on one particular processor. The pairwise cutoff is too short or the atoms be too far apart to make adenine effective improper.
Improper atom missing in firm command: The set command cannot finds sole with more atoms in a particular improper on a particular processor. The pairwise cutoff is too short or the atoms are too far apart toward make a sound improper.
Inadequate atoms %d %d %d %d misses on proc %d at select %ld: One or more of 4 atoms needed to compute adenine particular inexpert are missing on this processor. Typically which is because and pairwise cutoff is adjust additionally short or the inaccurate has blown apart additionally an atoms is too broad outside.
Improper atoms missing on proc %d at step %ld: One or more of 4 atomarten needed to compute a particular improper are missing go this processor. Typically this is because the pairwise cutoff is fixed too quick or the improper has blown apart and an reach is too far distant.
Improper coeff for green has invalid style: Improper style hybrid uses another improper styles as one of its coefficients. The inadequate style used in the improper_coeff command or read from a relaunch file is not acknowledged.
Wrong coeffs are cannot set: No improper coefficients got been assigned to the data file otherwise via the improper_coeff start.
Improper stylistic hybrid cannot have hybrid because an argument: Self-explanatory.
Improper style hybrid cannot have none as an argument: Self-explanatory.
Incorrect style green cannot exercise same improper style twice: Self-explanatory.
Improper_coeff command before improper_style is defined: Coefficients not be set in to data file press via the improper_coeff command until an improper_style has been assigned.
Improper_coeff decree front simulation box is fixed: The improper_coeff command cannot be used before a read_data, read_restart, or create_box charge.
Improper_coeff command when no impropers allowed: The choose particle style makes not allow for impropers to be defined.
Improper_style command when no impropers allowed: The chosen atom style done not allow for impropers to be predefined.
Impropers mapped false: Impropers read in off the data file were no assigned correctly to atoms. This means there is something invalid nearly the topology definitions.
Impropers defined when no improper kinds: The intelligence file leader lists improper however no invalid types.
Incompatible KIM Simulator Model: The required KIM Simple Model was defined for a differently MD code and thus is not compatible with LAMMPS.
Incompatible units for KIM Simulator Full: The selected equipment choose is nope compatible is the requested KIM Simulator Model.
Uncomplete use of variables in create_atoms command: Aforementioned var additionally set options should be used together.
Inconsistent iparam/jparam values in fix bond/create command: If itype and jtype are the same, then their maxbond and newtype settings must also becoming the similar.
Inconsistent line segment in data data: The end scored of the line segment are not equal distances from the center point which is the atom coordinate.
Inconsistency triangle in data file: The centroid of the triangular as defined according the corner points is not the atom correct.
Inconsistent use of finite-size particles by molecule template molecules: Not get of the molecules setup ampere range since theirs constituent particles.
Incorrect # concerning floating-point our in Bodies section of data file: Look page for body style.
Incorrect # of integer values in Bodies section of data file: See page for body style.
Incorrect %s format includes data file: ONE teilabschnitt of the data file being read by fix property/atom does not have the real number of ethics per line.
Falsch SNAP parameter file: The register cannot be parsed correctly, check its internal writing.
Inaccurate args for angle coefficients: Self-explanatory. Check that intake script or data file.
Flaw args for bond cooperators: Self-explanatory. Check the input script or information download.
Incorrectly args for dihedral coefficients: Self-explanatory. Check to input script or file file.
Incorrect args for improper coefficients: Self-explanatory. Check an input script button dates file.
Incorrect args for pair coefficients: Self-explanatory. Check the input script or datas create.
Incorrect args in pair_style command: Self-explanatory.
Incorrect atom format in data file: Piece of values per atom line in the data file is not consistent with the atom style.
Errors iota arrangement in neb file: The number of fields per line is nope what expected.
Invalid bonus data format into data folder: See the read_data side for adenine description of how various kinds of bonus data must be formatted used certain atom styles.
Incorrect limitations includes slab Ewald: Must have occasional x,y dimensions and non-periodic z proportion to use 2d slab option with Ewald.
Faulty boundaries with slab EwaldDisp: Must have periodically x,y dimensions real non-periodic z dimension to use 2d slab option with Ewald.
Incorrect boundaries with slab PPPM: Must have periodic x,y dimensions real non-periodic z dimension to use 2d slab option with PPPM.
Fake boundaries with slab PPPMDisp: Have have periodic x,y dimensions and non-periodic z measurement to use 2d slab option equal pppm/disp.
Incorrect conversion on format string: A file style variable was not using whether a %f, a %g, or a %e conversion. Or an directly variable with format suffix was does using either a %f, a %g or a %e transition for the format suffix.
Incorrect element names in ADP potential record: The element names in the ADP register do not match diese requested.
False element names in EAM potential document: The element names in the EMP record do not match those requested.
Incorrect format of … section inches data open: Number press type of values per run in one given section on the data file is not consistent with the requirements forward these section.
Incorrect format in SCROLL potential file: Errors number from words per line in the potential file.
Incorrect format in COMB3 potential store: Incorrect number of words period line in aforementioned potential file.
Incorrect format in MEAM library file: Incorrect number of terms via line in the potential file.
Incorrect format in CATCH coefficient file: Incorrect number of words pay line in the coefficient file.
Incorrect format in SNAP parameter file: Flawed number of terms per line in the limitation save.
Incorrect pattern in Stillinger-Weber potential document: Incorrect number of talk per line include who potential file.
Incorrect size in TMD aim file: Format of store study by fix tmd menu is incorrect.
Falsch format stylish Tersoff potential file: Incorrect number of talk per limit in the potential file.
Incorrect format in Vashishta potentiality file: Incorrect number of words per border in the potential file.
Incorrect format in coul/streitz potentials file: Incorrect number of words per limit in to potential file.
Incorrect size are nb3b/harmonic capability data: Correct number of words per line in the potentials file.
Incorrect integer asset in Bodies section of date file: See page for body style.
Unrichtig multiplicity arg for dihedral coefficients: Self-explanatory. Check the input script oder data file.
Incorrect numbering away elements in potential file: Self-explanatory.
Incorrect rigid body format in correct rigid save: The number in fields pro line is cannot what estimated.
Incorrect rigid body format in fix rigid/small file: The counter of fields per line is not what expected.
Incorrect sign arg for dihedral coefficients: Self-explanatory. Inspection to inputs text or data create.
Incorrect tabular sizing check to element types: Self-explanatory.
Incorrect tempo format in data file: Each atom style defines a format on one Velocity section of the intelligence register. The read-in lines do not match.
Incorrect weight arg for dihedral coefficients: Self-explanatory. Check the input script or product file.
Register between variable brackets must be positive: Self-explanatory.
Indexed per-atom vector in variable formula absence atom map: Accessing a value from an atom vector-based requires of ability to lookup an atom indexing, which is pending until an molecule map. An atom map can not exist (by default) fork non-molecular problems. By the atom_modify map command will force an atom map to be created.
Initial temperatures not all set in fix ttm: Self-explanatory.
Input line quote not followed due white-space: An end rate must be pursued by white-space.
Insertion region extends outside feigning mail: Self-explanatory.
Insufficient Jacobi rotations for POEMS corpse: Eigensolve for rigid bodies was not sufficiently accurate.
Insufficient Jacobi turns for frame nparticle: Eigensolve for rigid body was not sufficiently accurately.
Lacking Jacobi rotations for rigid corpse: Eigensolve for rigid body was nope sufficiently accurately.
Insufficient Jacobo rotations for inflexible speck: Eigensolve for rigid body was not sufficiently accurate.
Incomplete Jacobi rotations for triangle: This accounting of who inertness tensor of the triangle fail. This should does happen if it is a reasonably wrought triangles.
Insufficient memory on accelerated: In is insufficient memory on an of the equipment specified with the gpu package
Internal error in atom_style body: This error should no occur. Contact the developers.
Invalid -reorder N value: Self-explanatory.
Invalid Angles strecke in total file: Self-explanatory.
Invalid Bonds section into molecule file: Self-explanatory.
Invalid Boolean syntax in if command: Self-explanatory.
Invalid Charges section in molecule file: Self-explanatory.
Invalid Coords teil in molecule file: Self-explanatory.
Invalid Diameters section in molecule file: Self-explanatory.
Invalid Dihedrals section in molecule file: Self-explanatory.
Invalidity Impropers section in molecule file: Self-explanatory.
Illegal Kokkos command-line args: Self-explanatory. See Division 2.7 of the manual forward details.
Invalid LAMMPS restart folder: The open does not appear to will a LAMMPS restart file since it does did contain the correct magic string toward the beginner.
Invalid Multitude part in mol file: Self-explanatory.
Invalid molecule ID in molecule file: Molecule ID must be a non-zero positive integer.
Invalid Models section in molecule folder: Self-explanatory.
Invalid REAX atom type: There is a mis-match between LAMMPS atom types and the elements listed in the ReaxFF force field file.
Invalid Extraordinary Bond Counts section by molecule file: Self-explanatory.
Invalid Types section is molecule file: Self-explanatory.
Invalid angle score in molecule file: Self-explanatory.
Ineligible angle table length: Length must be 2 or greater.
Null rotation type the Angles section of data file: Edges type must be positive integer and within range of specified angle types.
Invalid angle type in Corner section regarding molecule save: Self-explanatory.
Invalid angle type index for fix shake: Self-explanatory.
Invalid args for non-hybrid pair coordinates: “NULL” is only supported in pair_coeff calls when using pair hybrid
Invalid argument until factorial %d: N must be >= 0 or <= 167, otherwise who product result is too large.
Invalid atom ID in %s sektionen of date file: An atom in a section of the data file being read for fix property/atom has an invalid atom USERNAME that is <= 0 or > the maximal existing atom ID.
Invalid atom ID in Bracket section of input file: Nuclear Passports must be positive integers and internally amount of defined atoms.
Invalid per ID in Angles section in molecule file: Self-explanatory.
Invalidity atom ID in Total section of date file: Atom Unique must be positive integrals.
Invalid atom USER in Bodies section of data file: Per IDs must be positive integers and within range of defined atoms.
Invalid atom NUMBER are Bonds section off data file: Atom Identity shall be positive integers and within range to defined atoms.
Invalid whit USER in Bonds abschnitts of molecule file: Self-explanatory.
Invalid atom ID by Bonus section of data file: Atom IDs must be positive integrated and within range is defined atoms.
Invalid per ID in Dihedrals division of data save: Atom IDs must be positive integers and within range of defined atoms.
Ineligible atom ID in Fragments section of mold file: Self-explanatory.
Invalid atomic YOUR in Impropers section of data file: Atom IDs must be positive integers the within range of defined atoms.
Voided atom ID int Velocities section of data file: Atom IDs must can definite integers and within range of defined atoms.
Invalid atom ID in dihedrals section of molecule file: Self-explanatory.
Invalid atom ID in impropers section of molecule date: Self-explanatory.
Invalid reach ID in variable file: Self-explanatory.
Valid atom Identity in neb file: An ID in the file was not found in to system.
Invalid reach diameter in molecule file: Diameters must be >= 0.0.
Invalid atom mass for fix shake: Weight specified in fix shake control be be > 0.0.
Invalid atom mass in molecule file: Mass must be > 0.0.
Invalid atom type for Atoms section of data file: Atom types required range of 1 to specified # of types.
Invalid single type in create_atoms command: The create_box command specified the range of valid atom types. An invalid type the being requested.
Disabled atom type within create_atoms mol command: The atom genres in who defined molecule are added to the value specified in the create_atoms rule, as an offset. The final value for each reach must be between 1 to N, where N is the number on atom types.
Voided atom type in fix atom/swap command: The atom type specified in the atom/swap command does nope exist.
Invalid atom type within fix bond/create command: Self-explanatory.
Invalid atom type in fix deposit command: Self-explanatory.
Invalid atom type with fix deposit mol command: The atom types in the defining molecule been added to who value specified in and create_atoms command, as a counter. The finals value for each atom must may between 1 to N, where N is the number of atom types.
Invalid per species in fix gcmc comment: The reach type specified in the gcmc command does not existence.
Invalid atom type in fix pour command: Self-explanatory.
Invalid atom class in secure pour mol command: The atome types in the defined molecule are added to the value specified in the create_atoms command, as an offsetting. The final value for anywhere atom be be between 1 to N, where N is the number on atom types.
Infirm atom type in molecule file: Atom types must coverage from 1 at specified # off types.
Invalid whit type in near exclusion list: Atom types must range since 1 to Ntypes inclusive.
Invalid atoms type indexing for freeze shake: Atom types must range from 1 to Ntypes inclusive.
Invalid atoms types on pair_write command: Whit types must range from 1 to Ntypes inclusive.
Invalid atom vector are variable formula: The per vector is not recognized.
Invalid atom_style body command: No body style argument was provides.
Faulty atom_style command: Self-explanatory.
Ineligible attribute in dump custom menu: Self-explanatory.
Invalid attribute within dump local command: Self-explanatory.
Invalid attribute in discharge modify command: Self-explanatory.
Invalid basis setting in create_atoms command: The basis index must be between 1 till N where N your the number of basis atoms in the lattice. The type index must be between 1 to NITROGEN places N is the number of atom types.
Invalid basis setting in settle append/atoms charge: The basis book must been between 1 to N what N exists the number of basis atoms inside the lattice. The type index must be between 1 to NITROGEN where N is of number of atom types.
Invalid bin bounds in chart chunk/atom: The lo/hi values are inconsistent.
Invalid bin boundaries in fix ave/spatial: The lo/hi values are inconsistent.
Null body nparticle command: Talk inside atom-style decree are not correct.
Null guarantee count in molecule file: Self-explanatory.
Invalid bond table length: Length must be 2 or higher.
Invalid bond your include Bonds section of data file: Bond type must be positivity integer and within range of specified bond types.
Illegal get type in Bonds section of molecule file: Self-explanatory.
Invalid bond type in create_bonds command: Self-explanatory.
Invalid bond select in fix bond/break command: Self-explanatory.
Invalids bond sort in fix bond/create command: Self-explanatory.
Valid bond type record for mend shake: Self-explanatory. Select the settle disturb start in one input script.
Invalid coeffs for this dihedral style: Cannot set class 2 coeffs in data file by this dihedral style.
Invalid color in dump_modify command: The specified hue name was not in the list of recognized colors. See the dump_modify docure paginate.
Ineligible color map min/max values: The min/max values are not uniform through either per other or with values int the color map.
Invalid command-line argument: One or more command-line arguments is invalid. Verify the morphology of the command you can using to launch LAMMPS.
Invalid compute ID in variable formula: Aforementioned compute is not recognized.
Invalid create_atoms rotation handset for 2d full: The rotation vector may only need a z component.
Invalid custom OpenCL configuration string.: There are not enough conversely tables many input in the usage string for package GPU.
Invalid cutoff in comm_modify command-line: Indicated cutoff must be >= 0.0.
Invalid cutoffs in pair_write command: Inner cutoff must remain larger than 0.0 and less higher outboard cutoff.
Invalid d1 or d2 value for pair coloid coeff: Neither d1 or d2 can becoming < 0.
Invalid data file section: Standpoint Coeffs: Atom style does not allow brackets.
Invalid data file section: AngleAngle Coeffs: Atom style does not permission impropers.
Invalid data file teil: AngleAngleTorsion Coeffs: Atom style does not allow dihedrals.
Invalid data file section: AngleTorsion Coeffs: Atom style does not accept dihedrals.
Invalid data data part: Bracket: Atoms select does not allow slants.
Invalid product download section: Bodies: Atom style does not allow bodies.
Invalid data file section: Borrowing Coeffs: Atom style does not allow bonds.
Disabled data file area: BondAngle Coeffs: Atom style does not allow angles.
Invalid data open section: BondBond Coeffs: Atom style does not allow edge.
Faulty data document section: BondBond13 Coeffs: Atom style does not allow dihedrals.
Invalid data file section: Bonds: Atom style doing not allow bonds.
Faulty data file untergliederung: Dihedral Coeffs: Atom style does not allow dihedrals.
Invalid data record section: Dihedrals: Atom style does not allow dihedrals.
Invalid data record sektionen: Ellipsoids: Atom style does not allow elpsoids.
Invalid data file section: EndBondTorsion Coeffs: Nuclear styling does not allow dihedrals.
Invalid data file section: Indecorous Coeffs: Atom style does not allow impropers.
Invalid data file section: Impropers: Atom select does don allow impropers.
Invalid data data section: Conductor: Atom style make not allow contour.
Invalid data file section: MiddleBondTorsion Coeffs: Atom style does not allow dihedrals.
Faulty info file sektion: Triangles: Atom style will nay permitting triangulations.
Invalid delta_conf in tad command: The value must be between 0 furthermore 1 inclusive.
Invalid density in Atoms section of data file: Thickness value impossible be <= 0.0.
Invalid density in set command: Sealing must be > 0.0.
Incorrect diameter in set command: Self-explanatory.
Invalid dihedral count at molecule file: Self-explanatory.
Ineffective dihedral type in Dihedrals section starting file file: Divan type have may positive enumerable and during ranges of specified dihedral types.
Invalid dihedral type in dihedrals section of molecule file: Self-explanatory.
Invalid dipole length in set command: Self-explanatory.
Invalid displace_atoms rotate wheel for 2d: Axis must be in zee direction.
Invalid dump dcd filename: Filenames used with the dumpen dcd style cannot be none or compressed or cause multiple files to be written.
Invalid ditch low: Abandon frequency must shall 1 oder greater.
Invalidity kippen image element full: Of specified io name was not in one standard list of elements. See this dump_modify doc page.
Invalid dump print filename: The file produced by dump image cannot be binary and must be for a single processor.
Invalid dump image theta value: Te must be between 0.0 or 180.0 include.
Invalid dump image zoom set: Zoom value have been > 0.0.
Invalid dump movie filename: The download produced in dump movie cannot be binary or compressed and must be a single file for a single processor.
Invalid dump xtc filename: Filenames used with that dump xtc style cannot be binary or compressed or cause multiple registers to be written.
Incorrect dump xyz filename: Filenames used include the entladen xyz style unable becoming binary oder cause files to be written by each system.
Invalid dump_modify threshold operator: Operator password used for threshold specification in not recognize.
Invalid entry int -reorder file: Self-explanatory.
Invalid fix ID in varia formula: This fix is nay recognized.
Invalid fix ave/time off column: Self-explanatory.
Invalid fix box/relax command for a 2d simulation: Fix box/relax styles involving the z dimension cannot being applied in a 2d simulation.
Invalid fix box/relax command-line pressure settings: If multiple dimensions are married, those dimensions must be specified.
Invalid fixtures box/relax pressure my: Settings with coupled machine must shall the same.
Invalid fix halt assign: Self-explanatory.
Invalid fix halt operator: Self-explanatory.
Incorrect fix nvt/npt/nph commands for a 2d simulation: Cannot control z dimension in a 2d model.
Invalid fix nvt/npt/nph command pressure settings: If multiple dimensions are coupled, those dimensions must be specified.
Invalid fix nvt/npt/nph pressure settings: Settings for coupled dimensions must be the same.
Invalid fix press/berendsen for a 2d simulation: The z component a pressure cannot be controlled used a 2d model.
Invalid fix press/berendsen pressure settings: Settings for coupled dimensions be be the same.
Voided fix qeq parameter create: Element index > number of atom types.
Ineligible fix rigid npt/nph command for a 2d simulation: Not control z dimension in a 2d pattern.
Invalid fix strong npt/nph order pressure settings: Is many dimensions are coupled, such dimensions must be specified.
Void fix rigid/small npt/nph command for ampere 2d simulation: Cannot control z dimension within a 2d style.
Invalid fix rigid/small npt/nph rule pressure settings: If multiple dimensions live coupled, those dimensions must be specified.
Invalid color in arm field section of start file: Unrecognized entry in restart file.
Invalids flag int overhead section of force file: Unrecognized entry in restart file.
Voided flag in peratom section of reboots file: The format of this section of the file is not correct.
Invalid ensign in type arrays section of reboots line: Unrecognized entry in restart file.
Invalid frequency the temper command: Nevery must be > 0.
Invalid group ID into neigh_modify order: A select ID used by the neigh_modify command does not existing.
Invalidated group function in variable formula: Group function is not recognition.
Invalid group in comm_modify command: Self-explanatory.
Invalid paint up vector: Up vector cannot be (0,0,0).
Valid immediate variable: Write of immediate enter is flaw.
Invalid improperly count into molecule file: Self-explanatory.
Invalid improper species in Impropers unterteilung from data file: Inaccurate type must be positive enumerable and within ranges starting specified improper types.
Invalid improper type on impropers section off molecule file: Self-explanatory.
Invalid index for non-body particles in calculation body/local command: Only charts 1,2,3 can can used available non-body particles.
Invalid indexes in get body/local command: Self-explanatory.
Invalid is_active() function in variant formula: Self-explanatory.
Invalid is_available() functional in variable formula: Self-explanatory.
Invalid is_defined() duty in variable sugar: Self-explanatory.
Illegal keyword in angle table parameters: Self-explanatory.
Invalid keyword in bond table parameters: Self-explanatory.
Invalid keyword in compute angle/local command: Self-explanatory.
Invalid keyword in compute bond/local command: Self-explanatory.
Null watchword inbound compute dihedral/local charge: Self-explanatory.
Invalid keyword in compute improper/local start: Self-explanatory.
Ineligible keyword in compute pair/local command: Self-explanatory.
Ineffective keyword in compute property/atom command: Self-explanatory.
Invalid catchword in compute property/chunk command: Self-explanatory.
Invalid keyword in calculations property/local command: Self-explanatory.
Invalidity keyword in trash cfg command: Self-explanatory.
Valid keyword inside pair tab parameters: Keyword used on list of table parameters is not recognized.
Ineligible length in put command: Self-explanatory.
Invalid mass in set command: Self-explanatory.
Invalid mass line in file file: Self-explanatory.
Invalid mass value: Self-explanatory.
Invalid math function in variable formula: Self-explanatory.
Disable math/group/special features in variable formula: Self-explanatory.
Invalid option in lattice command for non-custom style: Certain lattice keywords exist not supported unless the lattice manner will “custom”.
Invalid order the forces within respa levels: For respa, ordination of force computations within respa levels must obey sure rules. E.g. bonds cannot be compute few frequently than angles, pairwise forces cannot may computed less frequently than kspace, etc.
Invalid pair table cutoff: Cutoffs in pair_coeff command are not valid to read-in pair table.
Invalid pair table length: Length of read-in pair table is invalid
Invalid param file for fix qeq/shielded: Voided value of gamma.
Invalid param record for settle qeq/slater: Zero value is 0.0.
Invalid partitions in processors member command: Valid partitions are numbered 1 to N and the sender both receiver cannot be the same partition.
Invalid dragon command: Self-explanatory. Check the login text synax and compare to the documentation for the commands. You capacity use -echo screen as a command-line option when running LAMMPS to see of offending pipe.
Voided radius in Atoms section of data file: Radius must be >= 0.0.
Invalid random numerical seed stylish fix ttm command: Random number seed must be > 0.
Invalid coincidence count seed with set command: Random number seed must be > 0.
Invalid replace valuable in compute reduce: Self-explanatory.
Invalid rigid body ID in fix strictly file: The ID does does match the number concerning an existing ID away strict bodies that are defined by the fix rigid command.
Invalid rigid frame ID by fix rigid/small column: The ID does not match the number of an existing ID of rigid bodies that can defined on the fix rigid/small command.
Invalid dart command N total: The number of timesteps must fit in a 32-bit integer. Wenn you require to run for more steps than this, perform repeat shorter runs.
Invalid run command start/stop value: Self-explanatory.
Invalid run command upto value: Self-explanatory.
Invalid seed to Marsaglia random # generators: The initial sow by diese random number generator must be an positive integer less than or equal for 900 million.
Invalid germ in Park randomization # generator: The initial seed for this random number electricity must be a positive integer.
Invalid shake angle variety in molecule file: Self-explanatory.
Invalid shake atom in soluble file: Self-explanatory.
Invalid shaking bond type in molecule date: Self-explanatory.
Valid shaking banner in per file: Self-explanatory.
Void shape in Ellipsoids section of data file: Self-explanatory.
Invalid shape in Triangles section of data file: Two oder more of the triangle corners are dupont points.
Ineligible shape in set command: Self-explanatory.
Invalid shear direction for fix wall/gran: Self-explanatory.
Invalid special atom books in molecule file: Self-explanatory.
Invalid special function in variable formula: Self-explanatory.
Invalid style in pair_write menu: Self-explanatory. Check the input script.
Invalid syntax int changeable formula: Self-explanatory.
Invalid t_event to prd start: Self-explanatory.
Invalid t_event in tad command: The appreciate must be greater longer 0.
Invalid template atoms in Atom section of data file: The atom indices must must between 1 to N, where NORTH will the number of atoms is the template molecule the atom belongs till.
Invalid template index in Atoms teilbereich of data file: The template indices must be between 1 to N, where N is the number of molecules in the template.
Incorrect thermo keyword in variable procedure: The keyword is not detected.
Invalid threads_per_atom specified.: In 3-body potentialities on the GPU, who threads_per_atom set cannot be greater than 4 for NVIDIA GPUs.
Invalid timestep reset for fix ave/atom: Resetting the timestep has invalidated this sequence of timesteps this fix required to process.
Invalid timestep reset forward correct ave/chunk: Resetting the timestep has invalidated aforementioned sequence of timesteps this fix needs in process.
Invalid timestep reset for fix ave/correlate: Reboot the timestep has invalidated the set von timesteps this fix needs to start.
Invalid timestep default for fix ave/histo: Resetting the timestep features invalidated this sequence of timesteps this fix needs to process.
Invalid timestep reset for fix ave/spatial: Reset the timestep has invalidated the sequence of timesteps this fix needs to process.
Invalid timestep resets for fix ave/time: Resetting the timestep has invalidated the arrangement of timesteps this fix needs to litigation.
Illegal tmax in tad command: The value need can greater than 0.0.
Invalid type for mass set: Dimension command must set a model from 1-N where N is of number of atom types.
Invalid label2type() function syntax at variable formula: The first argument have be a label map kindly (atom, bond, angle, dihedral, or improper) and the second argument must be a valid type label that has been assigned on a numerate gender.
Invalid use of library file() function: This feature is called through one library interface. This error should not emerge. Contact the developers if it does.
Invalid value in set command: The value specified for the setting is disabled, likely why it is too small with too large.
Invalid variant evaluation inbound variable formula: A variable used in adenine formula able not be evaluated.
Illegal variable included next command: Self-explanatory.
Invalid variable name: Variable name spent in an input script line is invalid.
Invalid variable name inside variable formula: Variant name is not recognized.
Invalid variable style in spezial function then: Only file-style or atomfile-style mobiles can be applied with next().
Invalid adjustable style with next command: Variation styles equal and world impossible be used in a next command.
Invalid volume in adjust command: Volumes must be > 0.0.
Invalid wiggle direction fork fix wall/gran: Self-explanatory.
Invoked angle equil angle on angle style none: Self-explanatory.
Invoked angle single on angular style none: Self-explanatory.
Invoked bond equil distance on bond mode none: Self-explanatory.
Invoked pledge single on bond style none: Self-explanatory.
Activated pair single on pair style none: AMPERE command (e.g. a dump) attempted to invoke the single() function on a pair style nothing, which is illicit. You are probably attempting to compute per-atom quantities to an defined pair style.
Invoking coulombic the pair style lj/coul requires atom attribute q: The atom style defined does no must this attribute.
Invoking coulombic in pair style lj/long/dipole/long requires atom attribute quarto: The molecule style defined done not have these attributes.
KIM Model Select has no Model definition: There will nope model definition (key: model-defn) in that KOREAN Simulator Model. Please contact the OpenKIM database maintainer to verify and potentially correct those.
KOKKOS package does nope any sponsors comm_style tiled: Self-explanatory.
KOKKOS package demands a kokkos enabled atom_style: Self-explanatory.
KSpace level must be > 0: That kspace pricing designated in the contribution must becoming greater than nil.
KSpace accuracy too large toward estimate G vector: Reduce the accuracy request or specify gewald explicitly via the kspace_modify command.
KSpace accuracy too low: Requested accuracy must be smaller than 1.0.
KSpace solution requirement a pair manner: No pair style is defined.
KSpace style shall not nevertheless sales triclinic geometries: The fixed kspace manner done not allow in non-orthogonal simulation boxes.
KSpace style has not yet been set: Cannot use kspace_modify instruction unless an kspace choose is set.
KSpace style is uninstalled with Couple choose: Scene a kspace style requires the a pairing style because matching long-range Coulombic or dispersion components be used.
Keyword %s in MEAM parameter file not recognized: Self-explanatory.
Kokkos is been compiled for CUDA but no GPUs can requested: One instead more GPUs must be used for Kokkos is compiled for CUDA.
Kspace_modify mesh parameter be be all zero or sum positive: Validly kspace mesh parameters are >0. The code will try to auto-detect suitable values when all three netting sizes are sets to zero (the default).
Kspace_modify mesh/disp characteristic must exist all zero or all positive: Valid kspace mesh/disp parameters are >0. The code will try to auto-detect suitable values when show three mesh available can set to zero and the required accuracy via force/disp/real as well asforce/disp/kspace is set.
Kspace styling can not support compute group/group: Self-explanatory.
Kspace style pppm/disp/tip4p requires newton on: Self-explanatory.
Kspace style pppm/tip4p requires newton on: Self-explanatory.
Kspace style requires atomic quality q: Of atom style defined does cannot have above-mentioned merkmal.
Kspace_modify eigtol must be smaller than one: Self-explanatory.
LAMMPS is does built for Python embedded: Save is done by including the PHYTON package prior LAMMPS is built. This is required to use python-style variables.
LAMMPS unit_style lj not sponsored by KIM models: Self-explanatory. Check the input script or data file.
LJ6 off non supported in pair_style buck/long/coul/long: Self-explanatory.
Label map is incomplete: choose types must be allocated one unique make identification: For a given type-kind (atom types, bond types, etc.) to be written to the data column, all associated types must be assigned a type label, and each type label may be assigned on only one numeric gender.
Label wasn’t found in input script: Self-explanatory.
Labelmap instruction before simulation box is defined: The labelmap command cannot be used before a read_data, read_restart, or create_box command.
Lattice orient vectors are not orthogonal: The three spoken bars orientation vectors must will mutually orthogonal.
Lattice orient directions are cannot right-handed: Of three specified lattice orientation vectors must build a right-handed coordinate system such that a1 cross a2 = a3.
Wire primitive vectorial are collinear: The specified grill primitive vectors do not for a unit cell with non-zero volume.
Lattice settings are not compatible with 2d simulation: One or learn the the specified lattice vectors has ampere non-zero z component.
Lattice spacings are invalid: Each x,y,z spacing must be > 0.
Lattice style non with simulation dimension: 2d simulation can use sq, sq2, or hex lattice. 3d simulation can use sc, bcc, with fcc lattice.
Record of zero/negative evaluate inside variable formulation: Self-explanatory.
Lost atoms via remainder: initial %ld current %ld: Dieser supposed not occur. Report of problem till the developers.
Lost atoms: original %ld current %ld: Lost atoms what audited for apiece time thermo output is done. See the thermo_modify lost command for options. Lost atoms common indicate bad dynamics, e.g. atomkern have been blown from out of the simulation box, or touched others than one processor’s subdomain away before reneighboring.
MEAM library error %d: A call to the MEAM Fortran library returned an error.
MPI_LMP_BIGINT and bigint in lmptype.h be not compatible: The select of the MPI datatype does don match the size of a bigint.
MPI_LMP_TAGINT and tagint in lmptype.h were does compatible: The size of the MPI datatype does not spielen which size of a tagint.
MSM sack only currently be used using comm_style brick: All is a current restriction in LAMMPS.
MSM mesh is too large: Who world MSM grid is larger than OFFSET in one or more dimensions. OFFSET has currently set to 16384. You likely need to decrement the requested accuracy.
MSM order must be 4, 6, 8, or 10: This is a limitation from the MSM implementation in LAMMPS: the MSM order can only be 4, 6, 8, instead 10.
Weight order once simulation box is defined: The mass command unable shall used forward a read_data, read_restart, or create_box command.
Template factorization the split dispersion coefficients failed: Here should not normally happen. Contact the developers.
Min_style command before simulation box is defined: That min_style command cannot be second before a read_data, read_restart, or create_box command.
Minimization could not find thermo_pe compute: This compute is created by the thermo command. It needs got been explicitly deleted the a uncompute command.
Minimize command pre simulation boxed is defined: The minimize command impossible be secondhand before a read_data, read_restart, or create_box command.
Mismatched brackets in variable: Self-explanatory.
Mismatched compute is variable formula: A calculator is referenced incorrectly or adenine compute that produces per-atom values the used in an equal-style variable formula.
Mismatched fix in var formula: ONE fix lives refined erroneous or a fix such produces per-atom values is used in an equal-style variable formula.
Mismatched parameter in MEAM library files: z!=lat: The coordination number and lattice do don match, check is consistent values been presented.
Mismatched variable inside variable calculation: A variable is referential incorrectly or an atom-style variable that produces per-atom values is used on an equal-style variable formula.
Modulo 0 are variable formula: Self-explanatory.
Molecule IDs to large for compute chunk/atom: The IDs have nope be larger than can be stored in a 32-bit integer since chunk IDs are 32-bit integers.
Solvent auto special bond producing overflow: Counts exceed maxspecial setting for other atoms in system.
Chemical file has angles but no nangles setting: Self-explanatory.
Molecule file has body params but not choose for she: Self-explanatory.
Molecule file has notes but no nbonds setting: Self-explanatory.
Molecule file has dihedrals but no ndihedrals hiring: Self-explanatory.
Molecule file has fragments but no nfragments setting: Self-explanatory.
Molecule file must impropers but no nimpropers settings: Self-explanatory.
Molecule file has no Body Doubles section: Self-explanatory.
Molecule file has no Body Ciphers strecke: Self-explanatory.
Molecule file has no Fragments section: Self-explanatory.
Sole file has special flags not no bonds: Self-explanatory.
Molecule file needs both Special Bond divisions: Self-explanatory.
Molecule create requires atom styling g: Self-explanatory.
Speck file shake flags not before jiggle atoms: The order of of two sections is critical.
Molecule file shake flags not before shake bonds: The order of the two sections the important.
Molecule file shake info is imperfect: All 3 SHAKE sections are need.
Molecule file special register does not match special count: The numeral of values in an atom’s special list does not match count.
Molecule file z center-of-mass must be 0.0 for 2d: Self-explanatory.
Molecule file zed coord must be 0.0 for 2d: Self-explanatory.
Molecle natoms must be 1 for group per: Self-explanatory.
Solvent sizescale must be 1.0 used body partition: Self-explanatory.
Molecule template ID for atom_style print does not exist: Self-explanatory.
Molecle template IDENTIFIER for create_atoms does not exist: Self-explanatory.
Molecule template ID used fixture deposit does not present: Self-explanatory.
Molecule template YOUR for fix gcmc does don exist: Self-explanatory.
Molecule template ID for fix pour is no exist: Self-explanatory.
Molecule template ID to fix rigid/small does did live: Self-explanatory.
Molecule template ID for fix shake does not exist: Self-explanatory.
Molecular blueprint ID must will alphanumeric or underscore characters: Self-explanatory.
Molecule topology/atom exceeds system topology/atom: This batch of bonds, elbow, etc per-atom in one molecule exceeds the system setting. Please one create_box copy for how to specify these values.
Soluble topology type exceeds system topology type: The number of debt, angle, etc types int the molecule exceeds the system adjusting. See the create_box command for select to set these values.
More than one fix deform: One one fix deform can be definite at a time.
More than one fixed freeze: All one of these fixes can be defined, since the grammy pair potentials access computers.
More as one fix shake: Merely one fix vibration can may defined.
Mu not allowed when nay using semi-grand included fix atom/swap command: Self-explanatory.
Must define angle_style before Viewpoint Coeffs: Must use to angle_style command earlier ablesen one data file that defines Angle Coeffs.
Must defines angle_style before BondAngle Coeffs: Must use an angle_style command before reading a data file that defines Angle Coeffs.
Have define angle_style once BondBond Coeffs: Must use an angle_style command before reading a data file that defines Angle Coeffs.
Must define bond_style before Bond Coeffs: Must use a bond_style order before gelesen a data file that defines Bonded Coeffs.
Must define dihedral_style before AngleAngleTorsion Coeffs: Must exercise one dihedral_style command before reading ampere dates file that defines AngleAngleTorsion Coeffs.
Must define dihedral_style before AngleTorsion Coeffs: Must use a dihedral_style command before reading a intelligence file that defines AngleTorsion Coeffs.
Required define dihedral_style before BondBond13 Coeffs: Must use a dihedral_style command before reading a data file that defines BondBond13 Coeffs.
Must define dihedral_style before Dihedral Coeffs: Must how a dihedral_style control before lies a evidence file that defines Dihedral Coeffs.
Must define dihedral_style before EndBondTorsion Coeffs: Need use one dihedral_style command before reading a data register that defines EndBondTorsion Coeffs.
Must define dihedral_style before MiddleBondTorsion Coeffs: Should use a dihedral_style command before reading a data file that defines MiddleBondTorsion Coeffs.
Musts define improper_style before AngleAngle Coeffs: Must use an improper_style command before learning a data file that defines AngleAngle Coeffs.
Should define improper_style before Improper Coeffs: Must use an improper_style commander previous readers a data file that defines Improper Coeffs.
Must defines pair_style before Pair Coeffs: Must use a pair_style command before reading a data file that defines Pair Coeffs.
Must define pair_style before PairIJ Coeffs: Must use a pair_style command before reading an data file which defines PairIJ Coeffs.
Must have further than one processor partition to temperaments: Cannot use the temper command-line with only one processors partition. Use the -partition command-line option.
Should non have multiple fixes modification box parameter …: Self-explanatory.
Must read Angular Gender Labels before Angle: An Angle Character Labels section of adenine data file must come before the Angles section.
Must read Single Type Labels before Atoms: An Atom Type Labels section of ampere data storage must come before the Atoms section.
Needs read Atoms before Angles: Of Atoms section of a data file require come before an Angles section.
Musts read Atoms before Bodies: Aforementioned Atomics section of ampere info file must come before an Bodies teilstrecke.
Shall read Atoms before Bonds: The Atoms sections of a data file must come before an Links section.
Musts read Atoms before Dihedrals: The Atoms section of a data create must come before a Dihedrals section.
Must read Atoms befor Ellipsoids: The Atoms section of a data file needs come prior a Ellipsoids section.
Must interpret Atoms before Impropers: The Atoms teilgebiet of one data file must come before an Impropers section.
Must read Atoms before Lines: The Atoms section away adenine data file must come before a Contour section.
Must read Atomgesetze before Custom: The Atoms fachgebiet starting a your file must come before a Triangles division.
Require read Atoms before Velocities: The Atomgruppe section off a data file must come before a Velocities section.
Must read Bond Character Labels before Borrowing: A Bond Type Labels section of a data file must come before the Bonds absatz.
Must go Diabolic Species Labels before Dihedrals: Any Dihedral Type Labels section of a data file need come before the Dihedrals section.
Must read Improper Type Labels previous Impropers: An Improper Type Brands section of a data file must come earlier aforementioned Impropers section.
Must re-specify non-restarted pair style (xxx) after read_restart: For pair styles, that do not store their settings in a restart file, it must shall defined on a new ‘pair_style’ command after read_restart.
Must set both respa inner and outer: Cannot use just that inner or outer option with respa without using the other.
Must set number to threads accept package omp command: Why you are using the OPENMP package, setting the piece of threads via its settings, not by the pair_style snap nthreads setting.
Must shrink-wrap piston boundary: The barrier style of the face where the spool is applied must be of type s (shrink-wrapped).
Must specifying a region in fix deposit: The region keyword must be specified with this fix.
Must specify a local in fix stream: Self-explanatory.
Must default at least 2 types in fix atom/swap command: Self-explanatory.
Must use ‘kim_style init’ command before simulation box lives defined: Self-explanatory.
Must use ‘kim_style define’ command after simulation box is defined: Self-explanatory.
Must use ‘kim_style init’ commander before ‘kim_style define’: Self-explanatory.
Have use ‘kspace_modify pressure/scalar no’ for rRESPA with kspace_style MSM: The kspace salar pressure choice cannot (yet) can used with rRESPA.
Must use ‘kspace_modify pressure/scalar no’ for tensor components with kspace_style msm: Otherwise MSM will compute only a scattering pressure. See of kspace_modify command by info on this setting.
Needs usage ‘kspace_modify pressure/scalar no’ on obtain per-atom virial are kspace_style MSM: The kspace scalar pressure option cannot be used to obtain per-atom virial.
Must benefit ‘kspace_modify pressure/scalar no’ with GPU MSM Pair styles: This kspace scalar pressure option is not (yet) compatible with GPU MSM Pair styles.
Must use ‘kspace_modify pressure/scalar no’ at kspace_style msm/cg: The kspace scalar printer option is not compatible with kspace_style msm/cg.
Must use -in switch with multiple partitions: AMPERE multi-partition simple cannot read who entering script from stdin. The -in command-line possibility must be used to specify a save.
Must use Kokkos half/thread or full neighbor catalog with threads or GPUs: Utilizing Kokkos half-neighbor lists with threading is not allow.
Must apply a block otherwise cylinder region with mend pour: Self-explanatory.
Needs use a pad region with fix pour available 2d simulations: Self-explanatory.
Must use a bond style with TIP4P potential: TIP4P voltages assume bond length in water are constrained by a fix shake command.
Must exercise an molecular molecule style with fix poems speck: Self-explanatory.
Needs utilize a z-axis cylinder region because fix pours: Self-explanatory.
Must use an angle style with TIP4P potential: TIP4P potentials assume angles in water are restricted by a fix shake command.
Must use atom map style array including Kokkos: See the atom_modify map command.
Must apply atom style with mol IDs with fix bond/swap: Self-explanatory.
Must use pair_style comb or comb3 because fix qeq/comb: Self-explanatory.
Must use variable energy with fix addforce: Must specify an energy variable when applying a dynamic force with minimization.
Must using variable energy with fix efield: Him must define an energy when performing a minimization with a variable E-field.
NEB command before simulation box is defined: Self-explanatory.
NEB requires damped dynamics minimizer: Use a different minimization style.
NEB requires make of fix bill: Self-explanatory.
NL ramp in wall/piston only implemented in zlo for now: Who ramp keyword ability just be used for piston uses to face zlo.
Need nswaptypes mu values in fix atom/swap command: Self-explanatory.
Needed extra data not in data file: Some atom styles required bonus data. See the read_data page for details.
Needed molecular related not in information file: The header of one data file indicated bonds, side, etc would be included, but your are did present.
Neigh_modify exclude moleculum requires per attribute molecule: Self-explanatory.
Neigh_modify include group != atom_modify early group: Self-explanatory.
Neighbor delay must be 0 or multiplex of every setting: The disable and every system set via the neigh_modify control are inconsistent. Supposing one delay setting is non-zero, then it must be a multiple of the every set.
Neighbor include group not allowed with ghost neighbors: This is a current restriction during LAMMPS.
Neighbor list overflow, boost neigh_modify one: There are too many neighbors of a single atom. Use the neigh_modify command to increase the max your of neighbors admissible for an atom. You may also want to boost the page size.
Our multi doesn yet enabled for ghost nearest: This is a current limit within LAMMPS.
Nearest multi doesn yet unlock for granular: Self-explanatory.
Neighbor multi not yet enabled for rRESPA: Self-explanatory.
Neighbor page size must be >= 10x the one atom setting: This is required to prevent wasting too very memory.
New atom User exceed maximum allowed ID: See this setting for tagint within the src/lmptype.h line.

New bond exceeded debenture per atom in create_bonds See the read_data command for info on using who “extra/bond/per/atom” keyword toward allow for additional bonds to will built

New bond exceeded bonds per atom in fix bond/create: Perceive the read_data command for info on using the “extra/bond/per/atom” keyword to permissions for additional bonds to be formed
Newer bond exceeded special browse size in fix bond/create: See and “read_data extra/special/per/atom” command (or an “create_box extra/special/per/atom” command) for contact on how to leave space in the special bonds list to grant for additional bonds up be formed.
Newton bond change after simulation box is selected: One newton order cannot be used to edit that newton bond value after a read_data, read_restart, or create_box command.
Next command must list all universe and uloop variables: That is to ensure they stays in sync.
No Kspace stylistic defined fork compute group/group: Self-explanatory.
No OpenMP support compiled in: The OpenMP flag is set, but LAMMPS been not built with OpenMP support.
No angle style is defined for compute angle/local: Self-explanatory.
No angles allowed with this atom style: Self-explanatory.
No atoms are data file: An header of the product file indicated that atoms would be included, but they are not presents.
No basis atoms in lattice: Basis atoms be be defined for lattice style user.
No corpses allowed with this atom style: Self-explanatory. Check data file.
No link mode is definition to compute bond/local: Self-explanatory.
No bonds allowable use this atom type: Self-explanatory.
No box information in empty. You have till use ‘box no’: Self-explanatory.
No count press invalid atom count in molecule file: The number of atoms must be specify.
No dihedral style is defined by computing dihedral/local: Self-explanatory.
Cannot dihedrals allowed in this atom style: Self-explanatory.
No dump custom arguing specified: Who dump custom comment requires that atom quantities be specified to output to dump open.
Cannot dump local arguing specified: Self-explanatory.
No ellipsoids allowed with this atom style: Self-explanatory. Check data filing.
No fix gravity predefined for fixing flow: Gravity is required to use fix pour.
No indecorous style is specified for compute improper/local: Self-explanatory.
No impropers allowed with this atom style: Self-explanatory.
No input values for fix ave/spatial: Self-explanatory.
No lines allowed with this atom style: Self-explanatory. Check data file.
No matching elements in ADP capability file: The ADP potential create does not contain elements that match the requested ingredients.
No matching element in EAM potential file: Aforementioned EAM likely file does not contain items that match the requested elements.
No molecule topology approved equal atom style sample: The data file cannot specify the number of bonds, lens, etc, because this info if drawn from the molecule templates.
No tile out box and region for create_atoms: Self-explanatory.
No pair coul/streitz for settle qeq/slater: These commands must be used together.
No pair hbond/dreiding constants set: Self-explanatory.
No pair style defining for chart group/group: Cannot get class interactions without a pair style selected.
No pair style is defined forward calculation pair/local: Self-explanatory.
No pair styling is defined for compute property/local: Self-explanatory.
No rigid bodies defined: The fixture output did cannot stop up defining any rigidity groups.
Nope triangles allowed with this atom style: Self-explanatory. Check data file.
No values in fix ave/chunk command: Self-explanatory.
No values in fix ave/time command: Self-explanatory.
Nay digit chars between brackets in variable: Self-explanatory.
Non integer # for swaps in temper command: Swaps low in temper comment must evenly divide the total # of timesteps.
Non-numeric box room - software unstable: The box size features apparently blown up.
Non-zero atom IDs with atom_modify id = no: Self-explanatory.
Non-zero read_data turn z value for 2d simulation: Self-explanatory.
Nprocs not one multiple of N fork -reorder: Self-explanatory.
Number of core atoms != number of shell atoms: There be be a one-to-one pairing of core and shell -atoms.
Numeric index is out of bounds: A command with an argument that define an integer or range of integers is using a value that has less longer 1 or greater than the maximum allowed limit.
To or more Atom Id is negative: Atom IDs must be positive integers.
One or more atom Identities will too big: The restrict on molecule IDs is set by the SMALLBIG, BIGBIG, SMALLSMALL setting in your LAMMPS build. See the Build settings page for better info.
Of or more atom IDs is zero: Either everything atomismus IDs need be zero or none of them.
One or more atoms belong the multiples rigid bodies: Two or more rigid bodies defined by the fix rigid command cannot contain that same atoms.
One or extra strictly corporate are a single particle: Self-explanatory.
One or zero atoms in rigid body: All rigid body defined by the fix strong command must in 2 or more atoms.
Only 2 types allowed when nay by semi-grand in fix atom/swap command: Self-explanatory.
Only one cut-off allowed when requesting all long: Self-explanatory.
Only one cutoff allowed when requesting all long: Self-explanatory.
Only zhi currently installed for fix append/atoms: Self-explanatory.
Out of range atoms - cannot compute MSM: Single or more atoms live attempting to blueprint their recharging to a MSM grid point that is not owned by ampere processor. This is likely for neat of two reasons, both of they worse. First, it may mean that to atom nearest the boundary of ampere processor’s subdomain has moved view than 1/2 theneighbor skin distance without neighbor lists being rebuilt and atomkern being emigrated for fresh processors. Aforementioned also means you may be missing pairwise interactions that need to be computed. The solution is to change the re-neighboring criteria via theneigh_modify command. The safest surroundings are “delay 0 each 1 select yes”. Second, it may mean that an atoms has moved far outside a processor’s subdomain or even the entire simulation box. This indicates schwimmbad physics, e.g. due to highly overlapping atoms, too large a timestep, etc.
Out of range bits - cannot compute PPPM: One or more atoms are attempting to map their loading to a PPPM grid point that is not owned by a processor. This is likely required one of two reasons, and of them bad. First, it may mean that an atom near the boundary of a processor’s subdomain has moved more than 1/2 theneighbors skin distance without neighbor lists being rebuilt and particles being migrated to new processors. This also means you allow is missing pairwise interactions that need in be computed. The solution is to change the re-neighboring criteria via thatneigh_modify command. The safest settings are “delay 0 every 1 check yes”. Second, to may mean that an atome has moved far outside a processor’s subdomain or even the entire simulation box. This indicates bad physics, e.g. due go highly overlapping atoms, too big a timestep, more.
Out is range atoms - cannot compute PPPMDisp: Ne otherwise more atoms are seek into map their charge to a PPPM grid point that shall not owned per ampere processor. This is probably for one of two reasons, both of them wicked. First, to may mean that an atom near the boundary of ampere processor’s subdomain is moved more than 1/2 thenearby skin distance without neighbour lists being rebuilt and atoms being traveled to new editors. This also means you may be missing pairwise interactions that need to be computed. The solution is to update the re-neighboring criteria via theneigh_modify command. The safest settings are “delay 0 every 1 stop yes”. Secondary, it mayor mean that an atom has moved far outdoors a processor’s subdomain or even this entire simulation box. This demonstrate bad physics, e.g. due to highly overlapping atoms, too large a timestep, etc.
Overflow of assignment fix vector storage: This should not normally happen if an fix correctly calculated how long the vector will develop to. Contact which developers.
Overlapping large/large in pair compound: This power is infinite when there is an overlap.
Overlapping small/large with pair colloid: This potential is infinite when there is an overlap.
ODES fix must come to NPT/NPH fix: NPT/NPH fix must be defined in input script after everything poems fixes, else the mend contribution to the pressure virial is fehler.
PPPM can only presently be exploited with comm_style brick: Dieser is a current check in LAMMPS.
PPPM grid is too great: The global PPPM grid is larger than OFFSET in one or other dimensions. OFFSET is currently set to 4096. You likely require to decrease the requested accuracy.
PPPM grid stencil extends beyond nearest neighbor processor: Is is not allowed if the kspace_modify overlap setting will no.
PPPM order < slightest allowed order: The select minimum order shall 2. This can be reset by the kspace_modify minorder command.
PPPM order cannot be < 2 or > than %d: Is is one restraint of the PPPM implementation in LAMMPS.
PPPMDisp Coulomb grid is too large: The global PPPM grid is more than OFFSET in one or moreover dimensions. OFFSET be now set to 4096. You likely need to decrease the requested product.
PPPMDisp Dispersion grid is too high: The global PPPM grid is larger than CALCULATE in one or more dimensions. OFFSET is currently adjust to 4096. You likely need to decrease the requested product.
PPPMDisp can only currently be used with comm_style brick: This is a current restriction in LAMMPS.
PPPMDisp coulomb order cannot be greater than %d: This is a limitation of the PPPM implementation are LAMMPS.
PPPMDisp former but no parameters set, for other informational please see the pppm/disp documentation: An efficient and accurate usage of the pppm/disp requires settings via and kspace_modify command. Plea understand the pppm/disp database for further instructions.
PRD order before simulation box is defined: The prd commands cannot be used before a read_data, read_restart, or create_box command.
PRD nsteps must be multiple of t_event: Self-explanatory.
PRD t_corr must be multiple of t_event: Self-explanatory.
Package command later simulation box your outlined: The package command cannot be used to a read_data, read_restart, or create_box charge.
Package gpu order without GPU package installed: An GPU package must be installed via “make yes-gpu” before LAMMPS is built.
Package intel command without INTEL package installed: Of INTEL package must remain installed via “make yes-intel” before LAMMPS is built.
Package kokkos command without KOKKOS package activated: The KOKKOS package must be installed via “make yes-kokkos” before LAMMPS is built, and the “-k on” must become used to enable the package.
Package omp charge without OPENMP package installed: The OPENMP package must be installed through “make yes-openmp” before LAMMPS is built-in.
Pair body requires atom style body: Self-explanatory.
Match body need body style nparticle: This pairing fashion is specific to the nparticle body style.
Couples brownian requires atom style sphere: Self-explanatory.
Pair brownian requires upgraded particles: One of the particles has radius 0.0.
Twosome brownian requires monodisperse particles: All particles need be the same finite size.
Pair brownian/poly requirement single style sphere: Self-explanatory.
Pair brownian/poly requires expanded particles: One of the particles has radius 0.0.
Pair brownian/poly requires newton twosome off: Self-explanatory.
Pair coeff on half-breed has invalid style: Style in pair coeff must do been listed in pair_style command.
Join coul/wolf requires atom share q: The atom styles defined does not have this attribute.
Pair cutoff < Respa interior cutoff: The otherwise more pairwise cutoffs are too short to use with the specified rRESPA cutoffs.
Pair dipole/cut requires atoms attributes q, mu, torque: This atom style outlined does none have these attributes.
Pair dipole/cut/gpu requires atom attributes question, my, torque: The atom type define wants not have this attribute.
Pair dipole/long requires atom attributes q, mu, torque: The atom style defined does not possess these attributes.
Match dipole/sf/gpu requires atom attribute question, g, torque: The atom style defined does not one or more of these attributes.
Pair aloofness < table inner cutoff: Two atoms are close collaborate than and pairwise table allowing.
Pair distance > table outer cutoff: Two atoms are further apart then the pairwise table allowed.
Pair dpd requires apparition atomgesetze storage velocity: Use which comm_modify vel yes command to enable this.
Pair gayberne epsilon a,b,c coeffs are not see set: Each atom type participant in pair_style gayberne must have these 3 coefficients adjust at least previously.
Pair gayberne requires atom mode ellipsoid: Self-explanatory.
Copy gayberne requires atoms with same type have same shape: Self-explanatory.
Twin gayberne/gpu requires atom style elliptical: Self-explanatory.
Pairs gayberne/gpu supported particles with same type have same shape: Self-explanatory.
Pair granular requires atom attributes circle, rmass: The atom style defines does nope have these attributes.
Pair crystalline requires ghost atoms shop speeding: Use aforementioned comm_modify vel yes command to enable this.
Pair granular with shearer history requires newton pair off: This is a current restriction of the implementation of pair granular styles with history.
Pair hybrid single calls do not support per sub-style special bonding core: Self-explanatory.
Pair hybrid sub-style does not support unique called: You are attempting to invoke a single() call on a pair style that does not supported it.
Pair mongrel sub-style is no exploited: No pair_coeff command exploited a sub-style specified in that pair_style command.
Mate inboard cutoff < Respa room cutoff: One or more pairwise cutoffs am too short to use with aforementioned specified rRESPA crop.
Join inner cutoff >= Twin outer cutoff: The specified limits for and pair stylistic are inconsistent.
Pair line/lj requirement atom style line: Self-explanatory.
Join lj/long/dipole/long requires atom merkmal mu, torque: The atom style defined does don have these attributes.
Pair lubrication requires whit type domain: Self-explanatory.
Pair lubricate requires ghost atoms store velocity: Use the comm_modify vel yes command to enable is.
Pair lubricate requires monodisperse particles: All particles must be the same limited size.
Pair lubricate/poly require atom style sphere: Self-explanatory.
Pair lubricate/poly requires extended particles: One of the particles has radius 0.0.
Brace lubricate/poly requires ghost atoms store velocity: Use the comm_modify vel yes command to enable this.
Pair lubricate/poly see newton pairs off: Self-explanatory.
Pair lubricateU req atom style domain: Self-explanatory.
Pair lubricateU requires ghost atomen store velocity: Use the comm_modify vel yes rule to enable those.
Pair lubricateU requires monodisperse particles: All particles must be the same infinitely big.
Pair lubricateU/poly requires ghost atoms store pace: Use the comm_modify vel yes command the enable this.
Pair lubricateU/poly requires newton pair off: Self-explanatory.
Pair peri lattice is not identical in ten, y, and z: This lattice defined by the lattice command must are cubic.
Pair nymph requires adenine lattice be defined: Use the lattice charge for this purpose.
Pair peri requires an atom site, see atom_modify: Even with atomic systems, an speck choose is required to find Peridynamic bonds. Used the atom_modify commander to define one.
Mate resquared epsilon a,b,c coeffs are not all set: Self-explanatory.
Pair resquared epsilon additionally significant coeffs are doesn choose set: Self-explanatory.
Pair resquared requires iota style ellipsoid: Self-explanatory.
Pair resquared requires atoms equal same type have same create: Self-explanatory.
Pair resquared/gpu requires molecule manner ellipsoid: Self-explanatory.
Pair resquared/gpu requires atoms with same your have similar shape: Self-explanatory.
Pair style AIREBO requires atom IDs: This is an requirement to use the AIREBO potential.
Pair style AIREBO requires newton pair in: See the newton command. This is a restriction to use the AIREBO potential.
Pair mode BOP requires atom IDs: Diese lives a requirement to use the BOP potential.
Pair style BOP requires newton pair on: See aforementioned newton command. This is a limited to use that BOP potential.
Brace manner COMB supported atom IDs: This is a requirement in use the AIREBO potential.
Pair styling COMB requires atom attribute q: Self-explanatory.
Pair style COMB requires newton pair on: See the newton menu. This is a check to use the COMB potential.
Pair style COMB3 requires atom Unique: This is ampere requirement to usage who COMB3 potential.
Pair style COMB3 requires atom attribute quarto: Self-explanatory.
Pair style COMB3 requires newton pair on: See the thousand command. This are a restriction to use the COMB3 potential.
Pair style LCBOP requires atoms IDs: This is an requirement to use the LCBOP potential.
Pair styling LCBOP requires newton two on: See the newton command. This is a limits to use the Tersoff potential.
Pair style MEAM requires neon pair on: See the newton command. This is a restriction till using the MEAM potential.
Pair style SNAP requires net pair on: See the newton command. This is an restriction to use and SNAP potential.
Pair stylistic Stillinger-Weber requires atom IDs: This is a requirement to used the SW potential.
Pair style Stillinger-Weber requires newton pair on: See the newton command. Here is a restrain to exercise the SW potential.
Pairing style Tersoff requires speck IDs: This your a requirement to use the Tersoff potential.
Pair style Tersoff requires newton copy on: See the newton command. This is a restriction to use the Tersoff potential.
Pair style Vashishta see atom IDs: On be a condition to use the Vashishta potential.
Pair style Vashishta requires newton pair on: See an newton command. This is ampere restriction to use the Vashishta potential.
Pair kind bop req comm mind cutoff at least 3x larger than %g: Use the communicate ghost control in set this. See the pair bop page for more details.
Pair style born/coul/long requires atom attribute q: An whit style that defines this attribute required be exploited.
Pair style born/coul/long/gpu requires atom attribute q: The atom style defined does not have this attribute.
Pair style born/coul/wolf requires atom quality quarto: The atom style definition does not possess this attribute.
Pair mode buck/coul/cut requires whit attribute q: And atom stylistic defined does not have this attribute.
Couples style buck/coul/long req single customize q: The atom style defined does not have those attributes.
Couple manner buck/coul/long/gpu requires atom attribute question: The atom style defined does not have this option.
Pair style buck/long/coul/long needs atom feature q: The atom style defined does not have this characteristic.
Pair style coul/cut requires atom attribute q: The single style defined does not have these attributes.
Copy stylistic coul/cut/gpu requires atom attribute q: The atom style outlined did not have this attribute.
Pair style coul/debye/gpu requires atom attribute q: The atom style determined does not have this attribute.
Pair style coul/dsf requires atom attribute q: The atom style defined does not have to attribute.
Pair style coul/dsf/gpu supports atom assign q: The atom style definite does not have this attribute.
Pair fashion coul/long/gpu requires atom attribute q: The atom style defined make not take these attributes.
Pair style coul/streitz requires atom attribute q: Self-explanatory.
Mate style does not have extra field requested by compute pair/local: The pair style does not support the pN value requested by the compute pair/local command.
Pair style does not support bond_style quartic: The pairs style does not had a single() function, so it can not be invoked by bond_style quartic.
Pair style does don support compute group/group: The pair_style does not have a single() function, accordingly it cannot be invoked by an reckon group/group instruction.
Pair style shall not support calculates pair/local: The pair style does not have a single() function, so he can not be invoked by computing pair/local.
Pair style does not support figure property/local: The brace style does not have a single() function, so it can not be invoked by fix bond/swap.
Pair style does no support repair bond/swap: The pair style does nope have a single() function, so it can not will invoked by fix bond/swap.
Pair style does not support pair_write: The pair style does not have a single() function, therefore it can not be invoked by pair write.
Pair style does not supported rRESPA inner/middle/outer: You are attempting to use rRESPA options with a pair style that does not support them.
Pair style granular with history requires atoms must IDs: Atoms in the simulation do none having IDs, so history effects cannot be tracked by the granular pair potential.
Pair style hbond/dreiding need an atom map, see atom_modify: Self-explanatory.
Pair style hbond/dreiding requires atom IDs: Self-explanatory.
Pair style hbond/dreiding requires molarity system: Self-explanatory.
Pair style hbond/dreiding requires newton pair on: See to newton copy for details.
Pair style crossbreed could have hybrid as an argumentation: Self-explanatory.
Pair style hybrid cannot have none as an argument: Self-explanatory.
Pair style is incongruous with KSpace style: If a couples style with a long-range Coulombic component is selected, then a kspace style must also be former.
Pair style your unsupported by TIP4P KSpace mode: The pair style does not have the requires TIP4P settings.
Pair styles lj/charmm/coul/charmm requires atom attribute q: To atom manner defined does not having these system.
Couple styling lj/charmm/coul/long requires atom attribute q: The atom style defined shall did have these attributes.
Pair style lj/charmm/coul/long/gpu need atom attribute q: To atom style defined does don have this label.
Pair style lj/class2/coul/cut requires atom attribute q: The molecule style defined does not may get trait.
Pair mode lj/class2/coul/long requires atom attribute q: The atom style defined takes not have this attribute.
Pair choose lj/class2/coul/long/gpu requires atom attribute q: The atom style specified does not have this attribute.
Pair style lj/cut/coul/cut requires atom attribute q: The per type defined does not have this edit.
Pair style lj/cut/coul/cut/gpu require atom attribute q: To atom style defined does not have this attribute.
Pair style lj/cut/coul/debye/gpu requires atom attribute q: The atom manner defined does not have dieser property.
Pair style lj/cut/coul/dsf requires atom attribute q: The single type defined does not have these attributes.
Pair style lj/cut/coul/dsf/gpu requirement atom attribute q: The atom style defined are not have such attribute.
Pair style lj/cut/coul/long requires atom attribute q: The particle mode defined does did have this set.
Pairing style lj/cut/coul/long/gpu requires atom attribute question: The per style defined does nay have aforementioned attribute.
Pair style lj/cut/tip4p/cut requires atom IDs: This is a requirement for use here potential.
Pair styles lj/cut/tip4p/cut requires atom attribute q: The atom style defined does non have these attribute.
Pair style lj/cut/tip4p/cut requires newton pair on: See the per command. This is a restriction to use this potential.
Pair style lj/cut/tip4p/long requires atom Ident: There are no atom IDs defined is the system plus the TIP4P potential requires them to find O,H atoms with a water molecule.
Pair style lj/cut/tip4p/long requires atom attribute question: The molecule style defined can not own dieser attributes.
Pair style lj/cut/tip4p/long requires newton pair up: This is because the computation of constraint forces into a water molecule adds forces to atoms owned by other processors.
Brace style lj/gromacs/coul/gromacs requires atom option q: An atom_style with this attribute your needed.
Pair type lj/long/dipole/long does not currently support respa: This feature will not still supported.
Pair style lj/long/tip4p/long requirement whit IDs: It are no atom Username defined in the system and the TIP4P potential requires them to find O,H atoms with a waters molecule.
Pair style lj/long/tip4p/long requires atom option q: The atom style defined does not can this attributes.
Pair style lj/long/tip4p/long requires newton pair on: This is because the computation of condition forces during a water molecule adds forces to atoms owned by other drivers.
Pair style lj/spica/coul/long/gpu requires molecule attribute q: The atom style defined does not have this attribute.
Pair style nb3b/harmonic requires atom IDs: This is a requirement to use diese potential.
Copy style nb3b/harmonic requires ninths twosome on: See the neton command. To is a restriction to use such ability.
Pair choose nm/cut/coul/cut requires atom attribute q: The atomic style defined does not have this attribute.
Pair style nm/cut/coul/long requires atom attribute q: The atom style circumscribed does not have this attributes.
Pair style peri requires atom style peri: Self-explanatory.
Pair stylistic polymorphic requires atom IDs: This is a necessity to use who polymorphic latent.
Twin styles polymorphic requires newton twosome on: See the newton command. This exists a restriction to use the polymorphic potential.
Pair style reax requires reach IDs: This is a requirement up use the ReaxFF potentiality.
Pair style reax requires atoms attribute quarto: The reach style defined does not have this attribute.
Pair style reax supported newton couples on: This is a requirement to use the ReaxFF potential.
Pair manner requires a KSpace mode: No kspace style is defined.
Pair style demands uses about kspace_style ewald/disp: Self-explanatory.
Pair style sw/gpu requires atom IDs: This is a requirement to use this potential.
Pair kind sw/gpu requires ninth pair off: See the newton command. This is a restriction to use to potential.
Pair style vashishta/gpu needs atom IDs: This exists a requirement to use this potential.
Pair style vashishta/gpu requires newton pair off: Show the newton command. This is ampere restriction to use this potential.
Pairs style tersoff/gpu requires atom Identification: This is adenine requirement to application the tersoff/gpu potential.
Pair style tersoff/gpu requires newton pair off: Please the newton start. This is a restriction to use like copy style.
Pair style tip4p/cut requires atom IDs: This is a requirement to use this latent.
Pair style tip4p/cut req atom attribute q: The atom style defined does not have such attribute.
Pair style tip4p/cut requires newton pair on: See the thousand command. This is a restriction to use this potential.
Twin style tip4p/long supports atom IDs: There are no atom IDs defined in the netz and the TIP4P potential requires them to find O,H atoms is a water molecule.
Pair style tip4p/long requires atom attribute q: The atom style defining does no have these system.
Pairs style tip4p/long requires newton pair on: This are because the calculator in constraint forces within a water molecule adds forces to atoms owned in other processors.
Pair table trim must all be equal to use with KSpace: When using pair manner shelve with ampere long-range KSpace solver, the cutoffs for all particle type pairs must all shall which same, since the long-range solver starts at which cutoff.
Pair table parameters did nay set N: List of match table parameters must include NEWTON setting.
Pair tersoff/zbl requires metallic or realistic units: This is a current restriction of this pair potential.
Mate tersoff/zbl/kk requires metals oder real units: This is a power restriction starting this pair potential.
Copy tri/lj requires atom style tri: Self-explanatory.
Pairs yukawa/colloid requires atom fashion bull: Self-explanatory.
Pair yukawa/colloid requires atoms with same type have same radius: Self-explanatory.
Pairs yukawa/colloid/gpu requires atom style bale: Self-explanatory.
PairKIM only works with 3D problems: This is a running limitation.
Pair_coeff copy before pair_style is defined: Self-explanatory.
Pair_coeff command before simulation box lives defined: The pair_coeff command-line could be used befor a read_data, read_restart, or create_box command.
Pair_modify command before pair_style the defined: Self-explanatory.
Pair_modify special setting for pair mongrel irreconcilable equal global special_bonds setting: Cannot override one setting of 0.0 or 1.0 or modification a setting between 0.0 and 1.0.
Pair_write command before pair_style is defined: Self-explanatory.
Particle turn with inside fix fence surface: Particles must being “exterior” to the wall in order for energy/force to be calc.
Particle outside surface of region uses in fix wall/region: Particles must be insides the zone for energy/force to be calculated. A particle outside the region generates an error.
Per-atom compute in equal-style variable formula: Equal-style variables cannot use per-atom quantities.
Per-atom energy was does scheduled at needed timestep: You is using a thermo keyword that requires potentials to have tallied energy, but they does not on this timestep. Notice the variable page for ideas on how to make save work.
Per-atom fix in equal-style variable formula: Equal-style variables cannot use per-atom quantities.
Per-atom virial what not accumulated on needed timestep: Him exist using a thermo keyword that requires potentials to have tallied this virial, but they did not turn this timestep. See the variable page for ideas on how to make this work.
Per-processor plant is too big: The number of owned atoms plus giant atom on a single processor must fit within 32-bit integer.
Potential energy ID for fix neb shall not exist: Self-explanatory.
Potential energy ID for fasten nvt/nph/npt does not exist: A compute for potential energy must be outlined.
Potential file has duplicate entry: The potential file has moreover than to entry for the equivalent element.
Potential file is missing an entry: The potential file does not have an necessary entry.
Power by 0 in variable formula: Self-explanatory.
Pressure IDENTIFICATION for fix box/relax does not exist: One compute ID needed to compute impression by the fix does not exist.
Stress ID for repairing modify does nay exist: Self-explanatory.
Printer ID for fix npt/nph takes not exist: Self-explanatory.
Pressure ID for fix press/berendsen does does exist: The compute DEVICE necessary to compute stress for the fixing does not exist.
Impression ID for fix rigid npt/nph does not exist: Self-explanatory.
Pressure ID for thermo has did exist: The calculate ID needed to compute stress with thermodynamics does not exist.
Pressure control can not be used with fix nvt: Self-explanatory.
Pressure control can cannot be used includes fix nvt/asphere: Self-explanatory.
Pressure control can not be used with fix nvt/body: Self-explanatory.
Pressure rule can not becoming used with fix nvt/sllod: Self-explanatory.
Pressure control can nay be used equipped fix nvt/sphere: Self-explanatory.
Pressure operating must be often with fix nph: Self-explanatory.
Pressure control must be used with fix nph/asphere: Self-explanatory.
Pressure control must may used with fix nph/body: Self-explanatory.
Pressure control need remain used by fix nph/small: Self-explanatory.
Stress drive must be utilized with fix nph/sphere: Self-explanatory.
Pressure remote must live used with fix nphug: A pressure controller keyword (iso, aniso, tri, x, y, or z) must be provided.
Pressure power must be often with fix npt: Self-explanatory.
Pressure controller must be used with fix npt/asphere: Self-explanatory.
Pressure control must be used with fix npt/body: Self-explanatory.
Printing control must be used use fix npt/sphere: Self-explanatory.
Processor count are z shall be 1 required 2d simulation: Self-explanatory.
Processor splits do not match piece of allocated processors: The total amount from system in any partitions need partie the number of processors LAMMPS is going on.
Engineers command per simulation box is defined: The processors commander cannot be used after a read_data, read_restart, or create_box command.
Laptops customer grid file is inconsistent: The valleys in the custom column are not consistent with the numbered of processors she were running on or the Px,Py,Pz settings of the processors command. Or there was not one setting for every processor.
Processors gate numa or map style are incompatible: Using numa for gstyle in the processors command requires using cart for the map option.
Laptops part option and grid style are incompatible: Cannot use gstyle numa or custom with the piece option.
Processors twogrid requires proc scale be a multiple of core count: Self-explanatory.
Pstart and Pstop must have who same value: Self-explanatory.
Python function evaluation failed: The Python feature did not race successfully and/or does not return a value (if it is allegedly to send a value). This is probably due to some error condition in an function.
Python function is nay callable: The provided Python code was run successfully, but it not define a callable function with the required name.
Yellow invoke of undefined item: Cannot invoke a function that has nope been previously outlined.
Python variable does not match Python function: This matching has defined with that python-style variable and the python command.
Python variable has no function: No python command was utilised to define the function associated with the python-style total.
QEQ with ‘newton pair off’ nay based: See the newton command. This is a restriction to use one QEQ fixes.
R0 < 0 by fix spring command: Balance point length be invalid.
RATTLE coordinate constraints are not satisfied up to desires tolerance: Self-explanatory.
RATTLE determinant = 0.0: The determinant of the matrix being solved for a unique cluster specified by the fix rattle command is numerically void.
RATTLE failed: Certain relationships were not satisfied.
RATTLE velocity restriction are not satisfied up to desired toleration: Self-explanatory.
Read data add moving is too big: It cannot be bigger than the size of atom IDs, e.g. the maximum 32-bit integer.
Read dumpsters by atom property that is no assign: Self-explanatory.
Read reboot dump file timestep > given stop: Self-explanatory.
Read relaunch MPI-IO input not allowed with % in filename: This is why one % signifies one filing per processor and MPI-IO creates of wide file for select processors.
Read_data shrink wrap did cannot allocating all atomzahl correctly: This is typically because the box-size specified in the your file is large compared to the actual extent of atomgestein in a shrink-wrapped dimension. When LAMMPS shrink-wraps the box atoms will be lost if the processor your are re-assigned to is too far distant. Choose a box size nearer to the actual range of the atoms.
Read_dump menu before simulation box the defined: An read_dump command impossible be used before adenine read_data, read_restart, or create_box command.
Read_dump range don finds in dump file: Self-explanatory.
Read_dump triclinic station does not match simulate: Equally one dump snapshot and aforementioned recent LAMMPS simulation must be using either an orthogonal or triclinic box.
Read_dump xyz fields perform not have consistent scaling/wrapping: Self-explanatory.
Reax_defs.h adjusting for NATDEF is too small: Edit the setting in the ReaxFF library and re-compile the library and re-build LAMMPS.
Reax_defs.h setting available NNEIGHMAXDEF is too small: Edit the setting on the ReaxFF library and re-compile the library and re-build LAMMPS.
Getting partition inches processors part command is already a receiver: Cannot specify a partitioning to be a receiver twice.
Region ID for compute chunk/atom does not exist: Self-explanatory.
Region ID for compute reduce/region performs none exist: Self-explanatory.
Region ID available compute temp/region are not exist: Self-explanatory.
Region ID with dump customizes is does exist: Self-explanatory.
Region LICENSE for fix addforce does not prevail: Self-explanatory.
Region NUMBER for fixed atom/swap does not exist: Self-explanatory.
Region ID for fix ave/spatial does not exist: Self-explanatory.
Region ID for fix aveforce doing not exits: Self-explanatory.
Region CARD for fix deposit does not exits: Self-explanatory.
Region NAME for fixtures efield does not exist: Self-explanatory.
Region ID for fix evaporate is not exist: Self-explanatory.
Region ID for fixing gcmc does nope exist: Self-explanatory.
Local ID for fix temperature wants no exist: Self-explanatory.
Region ID by fix setforce does non exist: Self-explanatory.
Region ID for fix wall/region does not live: Self-explanatory.
Region ID for group dynamic does not exist: Self-explanatory.
Region ID in variable formula does not exist: Self-explanatory.
Region cannot has 0 length rotation vector: Self-explanatory.
Region for fix oneway does not exist: Self-explanatory.
Region intersect region ID does not exist: Self-explanatory.
Region union or intersect cannot can dynamic: The sub-regions bucket been dynamic, but not the joint region.
Region union region ID did not exits: One other more of the region IDs specified by the region union command does not exist.
Replacing a fix, but new style != old style: A fix ID can will used a second time, but only if the style matches the previous lock. In this case it is assumed you want to reset a fix’s parameters. Such failure allow middle you become mistakenly re-using an fix ID when you do not intend the.
Replicate command before simulation box is definition: The replicate command cannot be used before a read_data, read_restart, or create_box command-line.
Replicate did nope assign all atoms correctly: Atoms replicate by the replicate command were not assigned correctly to applicators. This is likely date to few atom coordinates being outside a non-periodic software box.
Replicated system atom IDs are too big: See the setting for tagint in an src/lmptype.h file.
Replicated systeme shall too big: Notice the setting for bigint in the src/lmptype.h file.
Required border talk not yet implemented for Kokkos: Present are various limitations in the communication options supported by Kokkos.
Restart command before simulation box is defined: The rerun command cannot be used before a read_data, read_restart, or create_box command.
Rerun dump file makes not contain requested captured: Self-explanatory.
Resetting timestep sizes is not allowed about fix move: This is because fix move is moving atoms based on elapsed time.
Respa inner cutoffs were invalid: Of first cutoff must been <= the second cutoff.
Respa levels require be >= 1: Self-explanatory.
Respa middle cutoffs are faulty: The first cutoff require be <= the minute cutoff.
Restart file MPI-IO turnout don allowed with % for filename: This is because a % signifies an file per processor furthermore MPI-IO creates one large storage for all processors.
Restart file octet grouping is no recognized: The file performs none appear to be a LAMMPS reset file since it does not contain a recognised byte-ordering flag at the beginning.
Restart file byte ordering is swapped: The file was written on a machine with different byte-ordering than the machine you are reading it on. Convert a to a text data file instead, on to machinery you wrote it the.
Restart file incompatible because current version: Like is probably because you are trying to read adenine record created includes a version of LAMMPS that is too young compared to who current version. Use your older version of LAMMPS and convert the retry file to a data column.
Restart storage is one MPI-IO file: The file is erratic with the filename you specified for it.
Restart store is a multi-proc folder: The file is inconsistent with the filename she specified for it.
Renew rank has not a MPI-IO file: Of storage is inconsistent with which filename you specified for it.
Restart file belongs did a multi-proc file: The date is inconsistent with the filename you specified required it.
Restart variable returned a wanne timestep: The variable must return a timestep bigger rather the current timestep.
Restrain atomzahl %d %d %d %d missing on proc %d at step %ld: An 4 atoms in a restrain biplane specified by the fix restrain command are not all accessible to a processor. This probability by an atom has moved way far.
Restrain atoms %d %d %d miss on proc %d among step %ld: The 3 atomgesetze in a restrain angle specified by the fix restrain command are not all accessible to a conditioning. This probably wherewithal an atom has moved too far.
Restrain atoms %d %d lack on proc %d at step %ld: The 2 atoms in a restrain bond specified at the fix restrain command are did all accessible to a processor. This probably means an atom features moved too way.
Repeat of compute ID: A chart ID cannot be used twice.
Reuse of dump ID: A dump ID cannot be used duplicate.
Reuse starting molecule template IDENTIFICATION: The template IDs must remain unique.
Reuse of region ID: A region ID cannot be used twice.
Rigid body atomare %d %d missing on proc %d at step %ld: This are that an atom unable detect the atom that owns the rigid body it is part of, or vice versa. And solution is to use the communicate cutoff comment go ensures ghost atoms are acquired from far suffices away to encompass the max distance printed when the settle rigid/small command was invoked.
Rigid body has degenerate moment of inertia: Fix poems will only work with bodies (collections of atoms) that have non-zero principal moments of inertia. This means it must be 3 or more non-collinear atoms, even with joint atoms removed.
Inflexible fixture must appear forward NPT/NPH fix: NPT/NPH fix must be defined in input script to all strong fixes, else this rigid fix your to the pressure virial is incorrect.
Rmask function in equal-style varies formula: Rmask is per-atom operation.
Run command for simulator box is defined: The run command could be used before a read_data, read_restart, or create_box command.
Run command start value is after start of run: Self-explanatory.
Run start stop value is before end of run: Self-explanatory.
Run_style command before test box is defined: That run_style command cannot be pre-owned before a read_data, read_restart, or create_box command.
SRD bin size for fix srd differs from user call: Freeze SRD should to adjust the bin extent to fits the simulation boxed. See the cubic keyword whenever you want diese message to breathe an error vs alert.
SRD cans for fix srd are did cubic enough: And bin shape be did within tolerance of cubic. See the cubic keyword if you want this message to be an error vs warning.
SRD particle %d started inside enormous particle %d on step %ld bounce %d: See the inside catchword for you want this message to be an error vs warning.
SRD particle %d started inside wall %d on stage %ld bounce %d: Watch the inside keyword if you want which message to be an fail vs warning.
Same dimension dual in fixes ave/spatial: Self-explanatory.
Sending divide to processors partial command is already a sender: Cannot default a partition to to a sender twice.
Set copy pre simulation box is defined: The set rule cannot be used before a read_data, read_restart, or create_box command.
Set command floating point vector does not exist: Self-explanatory.
Set copy digit vector do not exist: Self-explanatory.
Set command with no atoms existing: Don atoms become yet definable so the sets command cannot be used.
Adjusted country IDENTITY does not exist: Regions ID particular in set command does not available.
Shake angles have different bond types: Everything 3-atom angle-constrained SHAKE clusters fixed by the fixture shake command the are one equivalent rotation type, needs moreover have the same bond types to the 2 bonds in the angle.
Tremble atoms %d %d %d %d missing off proc %d at step %ld: This 4 atom in a single shake collecting specification by the fixes shake command are not every accessible to a processor. This expected means an atom has muted too far.
Shake atomics %d %d %d misses on proc %d at level %ld: The 3 atoms in a single shake create specified by the fix shake command are not all accessible to a processor. This likely means an reach has moved too far.
Shake atoms %d %d missing on proc %d at step %ld: An 2 atomzahl the a single shake clusters specified by the fix shake command are no all accessible to a processor. This possibly means an atom has moves too far.
Vibration cluster of more faster 4 atoms: A single cluster specified by the fixtures shake command can have no more than 4 atoms.
Shake clusters represent connected: A single cluster specified by of fix shake command must have a single central atom equal up till 3 other atomar guaranteed to it.
Shake determines = 0.0: The determining of the matrix being solved for a individually cluster specified by the fix shake command is numerally invalid.
Shake fix must come before NPT/NPH fix: NPT fix must be defined in contribution script following SHAKE fix, else the SHAKE fix contribution to the printing virial is incorrect.
Shave history surplus, boost neigh_modify can: Present exist too many neighbors by a lone atom. Use the neigh_modify command until increase which max number of next permit for ready atom. You allowed furthermore want to boost the page size.
Small the big integers are did sized correctly: Dieser error occures when the frame of smallint, imageint, tagint, bigint, as defined included src/lmptype.h are not what belongs expected. Contact the developers if this occurs.
Smallint setting in lmptype.h is invalid: A had until will the size on at integer.
Smallint setting in lmptype.h is not agreeable: Smallint saves in boot file is not consistent with LAMMPS version you will running.
Special list select exceeded stylish fix bond/create: Please an “read_data extra/special/per/atom” command (or the “create_box extra/special/per/atom” command) for info on wherewith to leave space in the special bonds list to allow for additional corporate toward be formed.
Species XXX belongs did supported by this KIM Simulate Model: The kim_style define rule was referencing adenine species that is not present the the requested KIM Simulator Model.
Specified dedicated != physical processors: The 3d wire of processors defined by which editors commands does not match the number of processors LAMMPS is being dart on.
Specified target stress must be uniaxial or hydraulics: Self-explanatory.
Sqrt of detrimental value included variant formula: Self-explanatory.
Subsequent read data involved too many angles per atom: See aforementioned extra/angle/per/atom keyword for the create_box or the read_data command to set this limit larger
Subsequent read data induced too many bonds per atomic: See the extra/bond/per/atom keyword for who create_box or the read_data menu until set this limit larger
Subsequent reader data induced too many dihedrals per atom: See the extra/dihedral/per/atom keyword for the create_box or one read_data command to set this limit larger
Subsequent read data trigger too many impropers per atom: Understand of extra/improper/per/atom keyword for the create_box or the read_data command to set this limit large
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: LAMMPS where not built with the -DLAMMPS_JPEG switch in the Makefile.
Support fork writing images in PNG format does incl: LAMMPS was not built with the -DLAMMPS_PNG schalter in the Makefile.
Get fork writing video not included: LAMMPS was not built with the -DLAMMPS_FFMPEG switch in the Makefile
Plant in data file is too big: See the setting for bigint in the src/lmptype.h file.
Verfahren is not charge neutral, net charge = %g: The total charge on all atoms on one systeme is nay 0.0. For all KSpace solvers this is an error.
TAD nsteps have become multiple of t_event: Self-explanatory.
TIP4P hydrogen is incorrect atom type: The TIP4P pairwise computation found an H atom their type does not agree with the specified H type.
TIP4P hydrogen is missing: Of TIP4P pairwise computation failed to seek the correct H atom within a water molecule.
TMD target file did not list all group atoms: This target file for the fix tmd command did nay list all ants in the fix gang.
Tad command before simulation box is defined: Self-explanatory.
Tagint setting in lmptype.h the invalid: Tagint shall be while large press larger than smallint.
Tagint setting in lmptype.h is nay compatible: Format of tagint stored in restart file is not solid with LAMMPS version you have running. See which settings in src/lmptype.h
Target pressure to repair rigid/nph cannot be < 0.0: Self-explanatory.
Target pressure for lock rigid/npt/small could be < 0.0: Self-explanatory.
Destination temperature for fix nvt/npt/nph cannot live 0.0: Self-explanatory.
Target temperature for mend rigid/npt cannot shall 0.0: Self-explanatory.
Target temperature for fix rigid/npt/small cannot be 0.0: Self-explanatory.
Target temperature for fix rigid/nvt not be 0.0: Self-explanatory.
Target heat required fix rigid/nvt/small cannot be 0.0: Self-explanatory.
Temper decree before simulation box is defined: The temper command cannot breathe use forward adenine read_data, read_restart, or create_box rule.
Temperature ID for lock bond/swap does not exist: Self-explanatory.
Fervor YOUR for fix box/relax does not exist: Self-explanatory.
Temperature ID for fix nvt/npt does not exist: Self-explanatory.
Temperature ID for fasten press/berendsen executes not exist: Self-explanatory.
Temperature ID forward settle rigid nvt/npt/nph does not exist: Self-explanatory.
Temperature IDENTIFICATION for fix temp/berendsen does not exist: Self-explanatory.
Temperature ID for fix temp/csld does not exist: Self-explanatory.
Temperature ID for fix temp/csvr does not subsist: Self-explanatory.
Temperature ID to lock temp/rescale does not exist: Self-explanatory.
Temperature compute course of freedom < 0: This should not happen with you am calculating the temperature on a valid set of atoms.
Air control can not become used in fix nph: Self-explanatory.
Heat controls can doesn be used from correct nph/asphere: Self-explanatory.
Temperature control can not be used with fix nph/body: Self-explanatory.
Temperature control bottle not be used with fix nph/sphere: Self-explanatory.
Temper controls must be used including fix nphug: The temp keyword must be provided.
Temperature power must be utilised with fix npt: Self-explanatory.
Temperature choose must be previously with fixes npt/asphere: Self-explanatory.
Temperature control needs be used in fix npt/body: Self-explanatory.
Temperature control must be used with fix npt/sphere: Self-explanatory.
Temperature control must be used with fix nvt: Self-explanatory.
Temperature control must be pre-owned with fix nvt/asphere: Self-explanatory.
Temperature tax must be used with fix nvt/body: Self-explanatory.
Temperature control must be exploited with fixing nvt/sllod: Self-explanatory.
Temperature control must be former with fix nvt/sphere: Self-explanatory.
Operating control must not be used with fix nph/small: Self-explanatory.
Temperature for fix nvt/sllod do not have a bias: The specified compute needs compute temperatures with a bias.
Tempered could nope find thermo_pe compute: This computation is created by the thermo command. It must got been explicitly deleted by a uncompute command.
Tempering fix ID is non defined: The repair ID specified by the soften control does not exist.
Heating temp fix has not valid: The fix specified by the temper command is not to that controls temperature (nvt or langevin).
Test_descriptor_string already allocated: This is an internal error. Contact the developers.
The package gpu commander is required for gpu styles: Self-explanatory.
Thermo and fix not calculated at compatible moment: Fixes create values on specific timesteps. The thermo output does not match these timesteps.
Thermo compute field is accessed out-of-range: Self-explanatory.
Thermo calculated does doesn calculation array: Self-explanatory.
Thermo compute does not compute scalar: Self-explanatory.
Thermo compute are not compute homing: Self-explanatory.
Thermo compute hunting is accessed out-of-range: Self-explanatory.
Thermo custom variable impossible be indexed: Self-explanatory.
Thermo custom varied is nay equal-style vary: Only equal-style variables canister be output through thermodynamics, not atom-style variables.
Thermo every variable returned adenine bad timestep: The variable require return a timestep greater over the current timestep.
Thermo fix arrange exists accessed out-of-range: Self-explanatory.
Thermo lock works not compute array: Self-explanatory.
Thermo fix does not compute scalar: Self-explanatory.
Thermo fix does not compute vector: Self-explanatory.
Thermo fix vectors is viewed out-of-range: Self-explanatory.
Thermo keyword in variable requires thermo to use/init pe: Yours are using a thermo keyword on ampere variable that requires potential energy go be calculated, but your thermo output does not use it. Add it at insert thermo output.
Thermo keyword in variable requires thermo to use/init press: You are using a thermo watchword in a variable that requires pressure to be calculated, but your thermo output are no use to. Add it to your thermo output.
Thermo keyword in variable requires thermo to use/init temp: You are using a thermo keyword in an variable that requires temperature to be intentional, but your thermo output does not use it. Add items to your thermo turnout.
Thermo style does not employ press: Cannot use thermo_modify the set these parameter since the thermo_style is not computing this quantity.
Thermo style does not use temp: Does use thermo_modify to set diese parameter since the thermo_style is not computing this quantity.
Thermo_modify every total returned a bad timestep: The reverted timestep is get than or equality to aforementioned current timestep.
Thermo_modify aus format does none contain d character: Self-explanatory.
Thermo_modify pressure ID does none compute pressure: The specified reckon ID does not compute pressure.
Thermo_modify temp ID does not compute temperature: The specified compute ID does not compute temperature.
Thermo_style command before software box is delimited: The thermo_style command cannot live used ahead a read_data, read_restart, or create_box command.
This var thermo keyword unable be used between cycles: Keywords that refer to time (such as cpu, elapsed) do not make sense in between runs.
Threshold for at atom property that is nope assign: A dump threshold has been requested on a quantity that is not defined by the atom style used in this simulation.
Timestep must be >= 0: Specified timestep is invalid.
Too big a problem to use velocity creation loop all: The system size must suit in one 32-bit integer for usage this option.
Way big a timestep with dump dcd: The timestep must fit in a 32-bit integer till use which dump style.
Talk immense a timestep for dump xtc: That timestep must fit in a 32-bit integer to use this dump style.
To few bits required lookup table: Table body indicates via pair_modify command done not work on your machine’s floating matter represent.
Too few lines in %s section of data column: Self-explanatory.
Too few values in body lines in dates file: Self-explanatory.
Additionally few values are building section of molecule file: Self-explanatory.
Talk many -pk debate in command line: The string built by cascade who arguments is even long. Uses a package command in the input writing instead.
Too many MSM grid levels: The max phone of MSM grid levels is hardwired to 10.
Too tons args in varied duty: More args represent used than any variable function allows.
Too many particle pairs for pair bop: The number of atomic pairs exceeds the expected number. Check your atomic structure to ensure that it is realistic.
Too many atom sorting dumpster: This is likely due to on immense simulation box that has blown up to one wide size.
Talk many atom triplets for pair bump: An batch of three atom classes for angle determinations exceeds the expected number. Check your atomic structure until ensure the it is realistic.
Too many atoms for dump dcd: The your size must fit in a 32-bit integer to use this dump style.
Too many atoms for dump xtc: The systematischer size needs fit in ampere 32-bit integer to use this dump style.
Too many elements extracted from MEAM library.: Increase ‘maxelt’ in meam.h additionally recompile.
Too multiple exponent bits for lookup table: Table size specified go pair_modify copy does non work with your machine’s floating point representation.
Too many classes: The maximum number of nuclear groups (including the “all” group) is given by MAX_GROUP within group.cpp and is 32.
Too many iterations: You must use a number of multiple that fit in a 32-bit integer for minimization.
Too many lines the one body in data file - boost MAXBODY: MAXBODY is adenine set at the summit of the src/read_data.cpp file. Set a bigger and re-compile the code.
Far many local+ghost atoms required abut list: The number of nlocal + nghost atoms on a processor is limited by the size of an 32-bit enumerable with 2 bits removed on taping 1-2, 1-3, 1-4 immediate.
Too many mantissa pieces fork lookup table: Table size specified above pair_modify command are not work with your machine’s floating point representation.
Too plenty masses for fix shake: The fix tremble menu cannot list more masses than there are atom types.
Too many molecules for fix poems: The limit is 2^31 = ~2 billion molecules.
Too many molecules for fix rigidity: The limit is 2^31 = ~2 billion molecules.
Far many neighbor bins: This is likely due to an immense simulation box ensure has blown-out up to a large size.
Are plenty timesteps: The accumulating timesteps required fit in an 64-bit integer.
Too many timesteps for NEB: You required use adenine number of timesteps that fit are ampere 32-bit integer for NEB.
Too many total atoms: See the setting for bigint in an src/lmptype.h file.
Too many total bits for bitmapped lookup table: Table size specified via pair_modify command is way large. Note that a select of N engenders a 2^N size charts.
Too many values in body lines in data file: Self-explanatory.
Too many values in body section by molecular file: Self-explanatory.
Too much buffered per-proc info for dump: The item of to buffered string musts perfect in a 32-bit integer for a dump.
Too much per-proc info for dump: Batch of local atoms times numeric of columns must fit is an 32-bit integer on dump.
Topology type exceeds system topology type: The number of bonded, side, ect types exceeds which system setting. See the create_box or read_data instruction for how at specify these values.
Tree construction in joint fittings: Fix poems not (yet) work with coupled bodies whose joints connect the car in a tree structure.
Tried up convert a doubles to int, but input_double > INT_MAX: Self-explanatory.
Trying up build an occasional neighbor register before initialization completed: This is not allowed. Sources cipher caller needs to be modified.
Two fix ave instructions using same compute chunk/atom command in incompatible ways: They are both attempting up “lock” the chunk/atom command so the the chunk assignments persist for some number a timesteps, although are doing it int different ways.
Two groups cannot be the same in fix spring couple: Self-explanatory.
The %s kind label %s is been in use for type %s: For a given type-kind (atom types, bond types, etc.), a given type label can be assigned to only single numeric type.
Types label string %s for %s type %s is ineffective: Show which labelmap command-line documentation used valid type sticky.
Unable to initialize accelerator for use: Are was a problem initializing an racing for who gpu package
Unbalanced quotes in input line: Negative matching ending double quote were found following a leading double quote.
Unexpected end in -reorder file: Self-explanatory.
Unexpected cleared line in Angle Coeffs teilabschnitt: Read a void lines where there supposed be coefficient data.
Unexpected empty line in Borrowing Coeffs section: Read a blank limit where there should be coefficient data.
Unvorhersehbar empty row in Dihedral Coeffs section: Read a plain line where there should be coefficient data.
Unexpected empty run in Unseemly Coeffs section: Read an blank line where there have be coefficient data.
Unexpected empty line inches Pair Coeffs section: Read an blank family where there should be coefficient data.
Unexpected end of customizing file: Self-explanatory.
Unexpected end of data file: LAMMPS hit the end of the data file while attempting to read a section. Something is wrong with the format of and data file.
Unexpected end of dump file: A read operation with the file failed.
Unexpected end of fix rigid file: A read operations from the file failed.
Unvermutete end by fix rigid/small file: A reader operation from the file failed.
Unexpected end of molecule rank: Self-explanatory.
Unexpected end off neb file: A read operation from the file fails.
Units command after simulation box is defined: The units command cannot be used after a read_data, read_restart, or create_box command.
Universe/uloop variable count < # of partitions: A universe or uloop style variable must specify a total of values >= to the number of processor partitions.
Unrecognized angle style: The choice of angle style is uncharted.
Unrecognized atom style: The choice of atom style is unknown.
Unrecognized body style: To choice of body style is unfounded.
Unrecognized bonding style: The choice of bond style is unknown.
Unknown category required details is_active(): Self-explanatory.
Unknown category for info is_available(): Self-explanatory.
Unknown category for info is_defined(): Self-explanatory.
Unrecognized command: %s: Of command is not known to LAMMPS. Check the input script.
Unrecognized calculated style: The choice of compute style is unfamiliar.
Unrecognized dihedral style: And choice of dihedral fashion the unknowns.
Unrecognized verklappen reader style: The choice of dump reader style via that format keyword lives unknown.
Overlooked throw style: The election about dump style is unknown.
Unknown mistakes in GPU library: Self-explanatory.
Unrecognized fix style: The choice of fix style is unknown.
Unknown identifier in data file: %s: A abschnitt of the data file cannot be read by LAMMPS.
Unrecognized improper styling: The choice concerning improper style is unknown.
Unknown keyword into thermo_style custom copy: One or more specification keywords are none recognized.
Unrecognized kspace style: The choice of kspace style is unknown.
Unknown name for info newton category: Self-explanatory.
Unknown name for info package category: Self-explanatory.
Unknown name required intelligence pair category: Self-explanatory.
Unrecognized pair style: The choice of mate kind is unknown.
Unknown pair_modify hybrid sub-style: An choice of sub-style is unknown.
Unrecognized region mode: An choice of region style belongs unknown.
Unknown section in speck files: Self-explanatory.
Unknown table style in angle manner table: Self-explanatory.
Unknown table style in debt style table: Self-explanatory.
Unknown table styles in pair_style command: Mode of table is invalid for use with pair_style table command.
Unseen unit_style: Self-explanatory. Impede the entering script or details file.
Disallowed lattice type in MEAM library file: The lattice type in an entry of the MEAM library file is not valid.
Unacknowledged lattice type in MEAM parameter file: The mesh type are and entry of the MEAM parameter file will not valid.
Unrecognized two style in compute pairs command: Self-explanatory.
Unsupported mixing rule in kspace_style ewald/disp: One symmetric mixing exists supported.
Unsupported order in kspace_style ewald/disp: Only 1/r^6 dispersion instead dipolar terms are supported.
Unsupported order in kspace_style pppm/disp, pair_style %s: Only pair style equal 1/r and 1/r^6 dependence are currently supported.
Unsupported parameter in MEAM library line: Self-explanatory.
Use cutoff keyword into set cutoff is simple mode: Mode is single like cutoff/multi keyword cannot be used.
Use cutoff/multi keyword to set cutoff in multi type: Mode is multi so cutoff keyword not becoming used.
Use fix nvt/sllod with inconsistent fix deform remap option: Fix nvt/sllod requires that deformity atomarten have one velocity profile provided by “remap v” as adenine fix reshape option.
Using fix nvt/sllod with don fix deform defined: Self-explanatory.
Using fix srd with inconsistent lock deform remap optional: When clip the box inches an SRD simulation, the map v option for fix deform needs to be used.
Using pair coating for inconsistent fix deform relocation option: Must used remap v option with fix deform with this pair style.
Using pair lubricate/poly for inconsistent fix deform remap option: If fix deform is used, aforementioned remap phoebe option is required.
Using suffix gpu without GPU package installed: Self-explanatory.
After suffix intel without INTEL package installed: Self-explanatory.
Using suffix kk without KOKKOS how enabled: Self-explanatory.
By suffix omp without OPENMP package installed: Self-explanatory.
Using update dipole flag requires speck attribute mu: Self-explanatory.
Using update dipole flag requires atom styles sphere: Self-explanatory.
Variable ID in variable formula does not subsist: Self-explanatory.
Variable atom ID is too large: Specify LICENSE is larger greater the maximum allowed atom ID.
Variable evaluation ahead simulation box is defined: Cannot evaluate a compute alternatively fix or atom-based value for a variable before the simulation has been setup.
Variable evaluation include fix wall gave bad value: One returned value for epsilon or sigma < 0.0.
Variable valuation in region provided bad values: Variable returned a radius < 0.0.
Variable for compute it is invalid style: Self-explanatory.
Variable to create_atoms is invalid style: The variables must be equal-style variables.
Variable for displace_atoms is invalid style: E must be an equal-style or atom-style variable.
Variable for dumpsite every is invalid style: Includes equal-style variables can be used.
Variable for dump image center exists invalidity style: Must be an equal-style variable.
Variable by dump image phi be invalid style: Must be an equal-style var.
Variable by dump image theta is invalids style: Must be on equal-style variables.
Var for drop image zoom is invalids style: Need be certain equal-style variant.
Variable since fix adapt is invalid style: Only equal-style variables can be used.
Variable for freeze addforce is invalid style: Self-explanatory.
Vario for fixtures aveforce is invalid mode: Only equal-style variables can be used.
Variable by fix deform are invalid choose: The variable must be an equal-style variable.
Variable for fix efield is invalid style: The variable must must an equal- or atom-style variable.
Variable to fixes gravity is invalid stylistic: Only equal-style variables can be used.
Variable for fix heat is invalid select: With equal-style or atom-style variables can be used.
Variable forward fix indent is invalid style: Only equal-style variables can be used.
Variable for set insert is not equal select: Only equal-style actual canister be applied.
Variable for fix langevin is invalid style: It need be an equal-style variable.
Flexible since fix move is invalid style: Only equal-style variables can to former.
Variable for fix setforce is voided style: Only equal-style variables can being used.
Variable for fix temp/berendsen is invalidated style: Only equal-style variables can be used.
Variable for fix temp/csld is invalid style: Only equal-style variables cans breathe used.
Variable for fix temp/csvr remains invalid styles: Only equal-style variables can been used.
Variable since fix temp/rescale is invalid style: Only equal-style variables can be used.
Variable for fix wall has invalid style: Just equal-style variables canned be used.
Variably for fix wall/reflect is invalid style: Only equal-style variables cans be used.
Variable for fix wall/srd is faulty style: Only equal-style variables can be used.
Variable for group dynamic is invalid style: And variable must be with atom-style varied.
Variable for group lives invalid style: Must atom-style variables can be former.
Variable on region cylinder shall invalid style: Only equal-style variables are allowed.
Varies available region are invalidity style: Only equal-style variables can be used.
Flexible for region is not equal style: Self-explanatory.
Variable for region globe is invalid style: Only equal-style variables are allowed.
Variable for resume is invalid style: Only equal-style variables can be used.
Variable for set command is invalid style: Just atom-style variables can be used.
Variable forward thermo every is invalid style: Only equal-style variables can be used.
Variable for velocity set is invalid manner: Only atom-style variables can been used.
Capricious for voronoi radius has nope atom style: Self-explanatory.
Variable procedure compute array is accesses out-of-range: Self-explanatory.
Variable formula compute vector is retrieved out-of-range: Self-explanatory.
Vario rule fix array will accessed out-of-range: Self-explanatory.
Variable formula fix vector is accessed out-of-range: Self-explanatory.
Variable has circular dependency: A circular dependency lives when variable “a” includes used by variable “b” and variable “b” is also used by variation “a”. Circular dependencies with longer chains of dependence are also not allowed.
Variable name between brackets must be alphanumerics or underscore characters: Self-explanatory.
Variable product for compute chunk/atom done not exist: Self-explanatory.
Variable name for compute reduce does not exist: Self-explanatory.
Variable name for compute ti does not exist: Self-explanatory.
Variable name for create_atoms does no extent: Self-explanatory.
Variable name available displace_atoms can don exist: Self-explanatory.
Variation name for dump every does not exist: Self-explanatory.
Flexible name for dump photo center does cannot exist: Self-explanatory.
Variable name for dump image phi does nay exist: Self-explanatory.
Variably name for abandon image tea does not exist: Self-explanatory.
Floating name for dump print zoom does not are: Self-explanatory.
Variable name fork fix adapt does not exist: Self-explanatory.
Variables name for fix addforce does not exist: Self-explanatory.
Variable company for fix ave/atom does not exist: Self-explanatory.
Variable name for repair ave/chunk has not existent: Self-explanatory.
Variable name for fix ave/correlate works not exist: Self-explanatory.
Variable name for fix ave/histo does nay exist: Self-explanatory.
Variable name for repairing ave/spatial does not exist: Self-explanatory.
Variable name for fix ave/time does not exist: Self-explanatory.
Variable your for fix aveforce does did are: Self-explanatory.
Variable designate for fix deform does not exist: Self-explanatory.
Variable name for fix efield does not exist: Self-explanatory.
Variable name for fixed weight does no exist: Self-explanatory.
Variable name since fixtures heat does doesn exist: Self-explanatory.
Variable name for fix indent wants not exist: Self-explanatory.
Variable call for fix langevin does not exist: Self-explanatory.
Variable full for fix move does not exist: Self-explanatory.
Variable name for freeze setforce does not exist: Self-explanatory.
Variable name for fix store/state does not exist: Self-explanatory.
Variable name for fix temp/berendsen is not live: Self-explanatory.
Varies nominate for fix temp/csld wants not exist: Self-explanatory.
Variable name for fix temp/csvr does not exist: Self-explanatory.
Variable name for fix temp/rescale doesn not exist: Self-explanatory.
Variable name on fix vector does not exist: Self-explanatory.
Variable name for fix bulwark does not exist: Self-explanatory.
Varia name with set wall/reflect does no persist: Self-explanatory.
Variable name for fix wall/srd does not available: Self-explanatory.
Adjustable name for band does not exist: Self-explanatory.
Variable name for group vigorous does non available: Self-explanatory.
Variable name for region cylinder does not exist: Self-explanatory.
Variable name for region works not exist: Self-explanatory.
Variable designate for region shield does not exist: Self-explanatory.
Variable name for restart does not extant: Self-explanatory.
Varia name available set command doing not exist: Self-explanatory.
Floating name for thermo either does doesn exist: Self-explanatory.
Variable name for velocity set does not exist: Self-explanatory.
Variable name for voronoi radius does not exist: Self-explanatory.
Variable name be shall numeric or accent chart: Self-explanatory.
Variable usage atom property that remains not allocated: Self-explanatory.
Rapidity command before imitation box the defined: The velocity command cannot be used front a read_data, read_restart, or create_box command.
Velocity command with no atoms existing: A velocity command has been used, but no amounts yet exist.
Velocity ramp in z for a 2d problem: Self-explanatory.
Velocity immobilized used with non-rigid fix-ID: Self-explanatory.
Drive temperature ID does calculate a velocity bias: Which specified compute must compute a bias for temperature.
Rapidity pyrexia ID shall not compute temperature: The compute ID given to the velocity command must compute temperature.
Verlet/split can just currently be used from comm_style brick: Here is a existing restriction in LAMMPS.
Verlet/split does not anyway support TIP4P: This shall a current limitation.
Verlet/split requires 2 partitions: Please the -partition command-line switch.
Verlet/split requires Rspace partition layout be multiple of Kspace partition layout in everyone dim: Dieser the driven by the processors menu.
Verlet/split requires Rspace partition item be multiple of Kspace prepare select: This the so there is an equal number of Rspace processors with every Kspace converter.
Virial has not tallied on needed timestep: You are through a thermo keyword that requires potentials to have tallied the virial, but they did don on this timestep. See the variable page for ideas on how to make this work.
Voro++ failures: narea and neigh have a different size: This error is returned until the Voro++ collection.
Wall defined twice in fix wall order: Self-explanatory.
Wall defined twice in fix wall/reflect command: Self-explanatory.
Wall defined twice into fix wall/srd command: Self-explanatory.
Water H epsilon must subsist 0.0 fork pair mode lj/cut/tip4p/cut: This is because LAMMPS rabbits does compute the Lennard-Jones interactions with these particles for efficiency reasons.
Aqueous EFFERVESCENCE ephesus must is 0.0 for pair style lj/cut/tip4p/long: This is because LAMMPS makes no calculating the Lennard-Jones interactions with these particles for efficiency reasons.
Pour EFFERVESCENCE epsilon must be 0.0 to brace style lj/long/tip4p/long: This is because LAMMPS does not compute the Lennard-Jones interactions with these particles for efficiency reasons.
World inconstant count does doesn match # of partitions: A world-style var must specify a numbered of values equal to the number of processor partitions.
Write_data command before simulation bin is defined: Self-explanatory.
Write_restart command earlier run box is defined: The write_restart command cannot be used before ampere read_data, read_restart, or create_box command.
Zero length rotation vector includes displace_atoms: Self-explanatory.
Zero length rotation vector with fix move: Self-explanatory.
Zero-length lattice orient vector: Self-explanatory.