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Lammps Neighbor

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I try to reduce the cutoff value >> but it doesn't work unless cutoff = 0. Atom_style template does not qualify. Bad TIP4P angle type for PPPM/TIP4P Specified angle type is not valid. Atom vector in equal-style variable formula Atom vectors generate one value per atom which is not allowed in an equal-style variable.

if the xy component is specified, then the y dimension must be periodic. Atom style was redefined after using fix property/atom This is not allowed. If you mess this up, LIGGGHTS(R)-PUBLIC will often flag the error, but it may read a bogus argument and assign a value that is valid, but not what you wanted. See the region prism command for details.

Lammps Neighbor

Even so, is there any method to count > the neighbour atoms by using "compute coord/atom" option and avoid the > error as i mentioned before? > ​i cannot reproduce what LAMMPS User Documentation 1. Cannot use newton pair with lj/class2/coul/long/gpu pair style Self-explanatory. Cannot dump sort when multiple dump files are written In this mode, each processor dumps its atoms to a file, so no sorting is allowed.

Compute reduce compute does not calculate a per-atom array Self-explanatory. LAMMPS therefore defines a virtual cutoff distance based on a user defined tolerance tol. Check that the path and name are correct. Read_restart Lammps Could not find compute displace/atom fix ID Self-explanatory.

To compile the Python wrappers (quippy), run:: make quippy Quippy can be used by adding the lib directory in quippy/build/${QUIP_ARCH} to your $PYTHONPATH, however it can be more convenient to install Atom_modify Cannot use fix deform on a shrink-wrapped boundary The x, y, z options cannot be applied to shrink-wrapped dimensions. Use one or the other. http://www.cfdem.com/media/DEM/docu/Section_errors.html Cannot use dump_modify nfile without % in dump file name Self-explanatory.

Errors View page source Website Commands Previous 10. Atom Style Lammps Cannot use newton pair with lj/class2/gpu pair style Self-explanatory. And of course the number of >> neighbour atoms in dump file is 0, which is still meaningless for me. >> >> The potential i use is a sw potential, by Cannot read_data after simulation box is defined The read_data command cannot be used after a read_data, read_restart, or create_box command.

  • Cannot open fix ave/histo file %s The specified file cannot be opened.
  • Cannot use fix rigid/small npt/nph on a non-periodic dimension When specifying a diagonal pressure component, the dimension must be periodic.
  • All dihedral coeffs are not set All dihedral coefficients must be set in the data file or by the dihedral_coeff command before running a simulation.
  • Other useful make targets include: make install : copies all compiled programs it can find to QUIP_INSTALLDIR, if it's defined and is a directory (full path required), and copies bundled structures
  • All bond coeffs are not set All bond coefficients must be set in the data file or by the bond_coeff command before running a simulation.
  • Create_box region does not support a bounding box Not all regions represent bounded volumes.

Atom_modify

Bond coeff for hybrid has invalid style Bond style hybrid uses another bond style as one of its coefficients. If LAMMPS crashes or hangs without spitting out an error message first then it could be a bug (see this section) or one of the following cases: LAMMPS runs in the Lammps Neighbor Bond_coeff command before simulation box is defined The bond_coeff command cannot be used before a read_data, read_restart, or create_box command. Lammps Neigh_modify Cannot set this attribute for this atom style The attribute being set does not exist for the defined atom style.

Chunk/atom compute does not exist for compute temp/chunk Self-explanatory. Cannot open fix ave/histo file %s The specified file cannot be opened. Cannot use newton pair with born/gpu pair style Self-explantory. Cannot use fix nvt/npt/nph with both xy dynamics and xy scaling Self-explanatory. Read_data Lammps

Check that the path and name are correct. Even so, is there any method to count >> the neighbour atoms by using "compute coord/atom" option and avoid the >> error as i mentioned before? >> > > i cannot Cannot use fix ave/spatial z for 2 dimensional model Self-explanatory. Could not find compute ID for PRD Self-explanatory.

Report the problem to the developers. Lammps Data Format Could not find fix rigid group ID A group ID used in the fix rigid command does not exist. Could not create 3d remap plan The FFT setup in pppm failed.

Cannot use newton pair with colloid/gpu pair style Self-explanatory.

Cannot use chosen neighbor list style with lj/charmm/coul/charmm/kk Self-explanatory. Additional tools 10. Bond style hybrid cannot have hybrid as an argument Self-explanatory. Lammps Create Box Bias compute group does not match compute group The specified compute must operate on the same group as the parent compute.

Bond style hybrid cannot use same bond style twice Self-explanatory. Angle atom missing in set command The set command cannot find one or more atoms in a particular angle on a particular processor. Thanks for your attention and look forward to your reply -- Xun Guo State Key Laboratory of Nuclear Physics and Technology School of Physics, Peking University ------------------------------------------------------------------------------ Transform Data into Opportunity. Cannot change box ortho/triclinic with dumps defined This is because some dumps store the shape of the box.

Cannot use newton pair with lj/cut/gpu pair style Self-explanatory. Can only use TAD with 1-processor replicas for NEB This is current restriction for NEB as implemented in LAMMPS. Cannot open fix print file %s The output file generated by the fix print command cannot be opened Cannot open fix qeq/comb file %s The output file for the fix qeq/combs The bodies you have defined exceed this limit.

If tol = 0.0, then the standard Stillinger-Weber cutoff is used." Is that means we cannot change the default cutoff vaule in sw pair style, Like "pair_style lj/cut 2.5"? If you see wild thermodynamic values or NaN values in your LIGGGHTS(R)-PUBLIC output, something is wrong with your simulation. Compute erotate/sphere requires atom style sphere Self-explanatory. LAMMPS provides a tol value for each of the three-body entries so that they can be separately controlled.

Cannot (yet) do analytic differentiation with pppm/gpu This is a current restriction of this command. Check that the path and name are correct. Please report it to the developers. The potential i use is a sw potential, by setting "pair_style sw" and "pair_coeff * * MoS2.sw Mo S", MoS2.sw is the potential file.

Both restart files must use % or neither Self-explanatory. Cannot open file %s The specified file cannot be opened. Errors:¶ 1-3 bond count is inconsistent An inconsistency was detected when computing the number of 1-3 neighbors for each atom. Could not find thermo_modify pressure ID The compute ID needed by thermo style custom to compute pressure does not exist.

Unit style : metal Current step : 0 Time step : 0.001 ​this "master list distance cutoff" is the largest cutoff available for the compute. Cannot set dump_modify flush for dump xtc Self-explanatory. Errors This section describes the errors you can encounter when using LAMMPS, either conceptually, or as printed out by the program. 12.1 Common problems 12.2 Reporting bugs 12.3 Error & warning Could not adjust g_ewald_6 The Newton-Raphson solver failed to converge to a good value for g_ewald_6.