Compute bond/local used when bonds are not allowed The atom style does not support bonds. BondBond coeff for hybrid angle has invalid format No "bb" field should appear in data file entry. Can not specify Pxy/Pxz/Pyz in fix nvt/npt/nph with non-triclinic box Only triclinic boxes can be used with off-diagonal pressure components. It will not be competitive in terms of performance with codes such as LAMMPS and Gromacs, but has a number of unique features: Deep access to most of the Fortran types http://sonoportal.net/cannot-open/emacs-prelude-file-error-cannot-open-load-file-package.html
Bond atom missing in box size check The 2nd atoms needed to compute a particular bond is missing on this processor. http://goo.gl/1wk0 College of Science & Technology, Temple University, Philadelphia PA, USA International Centre for Theoretical Physics, Trieste. Compute temp/asphere requires extended particles This compute cannot be used with point paritlces. If you suspect this is happening, it is a good idea to print out thermodynamic info frequently (e.g. http://lammps.sandia.gov/doc/Section_errors.html
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. Balance dynamic string is invalid The string can only contain the characters "x", "y", or "z". First it will ask you some questions about where you keep libraries and other stuff, if you don't use something it is asking for, just leave it blank. Cannot use variable energy with constant efield in fix efield LAMMPS computes the energy itself when the E-field is constant.
Cannot change box to orthogonal when tilt is non-zero Self-explanatory. Check that the path and name are correct. Cannot delete group currently used by a compute Self-explanatory. Read_restart Lammps Compute pair must use group all Pair styles accumlate energy on all atoms.
In order to run QUIP potentials via LAMMPS, make libquip to get QUIP into library form, and then follow the instructions in the LAMMPS documentation. Bad FENE bond Two atoms in a FENE bond have become so far apart that the bond cannot be computed. Some commands use random number generators which may be setup to produce different random number streams on each processor and hence will produce different effects when run on different numbers of http://www.cfdem.com/media/DEM/docu/Section_errors.html Bond extent > half of periodic box length This error was detected by the neigh_modify check yes setting.
Cannot yet use minimize with Kokkos This feature is not yet supported. Atom Style Lammps 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. Cannot set non-zero z velocity for 2d simulation Self-explanatory. Cannot open fix poems file %s The specified file cannot be opened.
Check that the path and name are correct. Cannot change box ortho/triclinic with dumps defined This is because some dumps store the shape of the box. Lammps Neighbor Cannot use fix nvt/npt/nph with both yz dynamics and yz scaling Self-explanatory. Lammps Neigh_modify Bad fix ID in fix append/atoms command The value of the fix_id for keyword spatial must start with the suffix f_.
Atom sorting has bin size = 0.0 The neighbor cutoff is being used as the bin size, but it is zero. navigate here From: Axel Kohlmeyer
Reporting bugs 10.3. Cannot use fix deposit shake and not molecule Self-explanatory. Atom_modify map command after simulation box is defined The atom_modify map command cannot be used after a read_data, read_restart, or create_box command. Check This Out Check that the path and name are correct.
Bond style quartic cannot be used with atom style template This bond style can change the bond topology which is not allowed with this atom style. Lammps Data Format Could not find fix ID to delete Self-explanatory. Compute reduce fix does not calculate a local vector Self-explanatory.
Cannot open screen file The screen file specified as a command-line argument cannot be opened. Cannot use newton pair with colloid/gpu pair style Self-explanatory. Cannot open balance output file Self-explanatory. Lammps Create Box Create_box region ID does not exist A region ID used in the create_box command does not exist.
Compute ID for compute slice does not exist Self-explanatory. Bond style quartic cannot be used with 3,4-body interactions No angle, dihedral, or improper styles can be defined when using bond style quartic. Compute atom/molecule fix does not calculate a per-atom array Self-explanatory. this contact form Cannot currently use pppm/gpu with fix balance.
Cannot open AIREBO potential file %s The specified AIREBO potential file cannot be opened. Cannot find delete_bonds group ID Group ID used in the delete_bonds command does not exist. Cannot set meso/rho for this atom style Self-explanatory. You must turn off sorting, which is enabled by default, via the atom_modify command.
Cannot use fix shake with non-molecular system Your choice of atom style does not have bonds. Cannot set smd/mass/density for this atom style Self-explanatory. Cannot (yet) use PPPM with triclinic box and TIP4P This feature is not yet supported. Most string arguments can be replaced by --help and QUIP programs will then print a list of allowable keywords with brief help messages as to their usage, so e.g.
Bond style hybrid cannot have hybrid as an argument Self-explanatory. Accelerate data analysis in your applications with Intel Data Analytics Acceleration Library. Cannot embed Python when also extending Python with LAMMPS When running LAMMPS via Python through the LAMMPS library interface you cannot also user the input script python command. Cannot use chosen neighbor list style with lj/charmm/coul/long/kk Self-explanatory.
Cannot use chosen neighbor list style with lj/class2/kk Self-explanatory. Cannot use fix deform on a shrink-wrapped boundary The x, y, z options cannot be applied to shrink-wrapped dimensions. Compute slice fix does not calculate global vector or array Self-explanatory. Check that the path and name are correct.
Cannot open data file %s The specified file cannot be opened. Cannot set bond topology types for atom style template The bond, angle, etc types cannot be changed for this atom style since they are static settings in the molecule template files. Cannot open fix ave/time file %s The specified file cannot be opened. Cannot use newton pair with lj/cut/coul/cut/gpu pair style Self-explanatory.
Cannot use EwaldDisp with 2d simulation This is a current restriction of this command. Almost all large memory allocations in the code are done via C-style malloc's which will generate an error message if you run out of memory. E.g. You can get around this by performing a 0-timestep run which will assign the restart file info to actual atoms.
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