Compute atom/molecule fix array is accessed out-of-range Self-explanatory. Cannot open COMB potential file %s The specified COMB potential file cannot be opened. Angles assigned incorrectly Angles read in from the data file were not assigned correctly to atoms. Rest assured that you're not alone.
Cannot balance in z dimension for 2d simulation Self-explanatory. Cannot use fix deform trate on a box with zero tilt The trate style alters the current strain. Check that the path and name are correct. See the atom_modify command to create a map.
Cannot use a damped dynamics min style with fix box/relax This is a current restriction in LIGGGHTS(R)-PUBLIC. gdb namd2 core ... Arcsin of invalid value in variable formula Argument of arcsin() must be between -1 and 1. This error can also occur if not enough free space is available on the partition that holds TORQUE.
Cannot set variable z velocity for 2d simulation Self-explanatory. Cannot use Ewald with triclinic box This feature is not yet supported. Cannot use chosen neighbor list style with lj/class2/coul/long/kk Self-explanatory. Bond Atom Missing In Image Check Cannot open coul/streitz potential file %s The specified coul/streitz potential file cannot be opened.
Angle coeffs are not set No angle coefficients have been assigned in the data file or via the angle_coeff command. Atom_modify Cannot use nonperiodic boundaries with PPPMDisp For kspace style pppm/disp, all 3 dimensions must have periodic boundaries unless you use the kspace_modify command to define a 2d slab with a non-periodic For NVIDIA GPUs, see the nvidia-smi command to change this setting. Similarly, the create_atoms command generates a lattice of atoms.
Angle atoms missing on proc %d at step %ld One or more of 3 atoms needed to compute a particular angle are missing on this processor. Lammps Print Because of enhancements to TORQUE, it cannot read the job database of an OpenPBS server (job structure sizes have been altered to increase functionality). Check that the path and name are correct. If you are unlucky you could run out of memory just when one of these small requests is made, in which case the code will crash or hang (in parallel), since
All improper coeffs are not set All improper coefficients must be set in the data file or by the improper_coeff command before running a simulation. https://books.google.com/books?id=XblKlm1mTq8C&pg=PA363&lpg=PA363&dq=error+bad+grid+of+processors&source=bl&ots=VJbisdDwdO&sig=1y6fTb_t992YKn2dledcW7dk19A&hl=en&sa=X&ved=0ahUKEwj7p5STm8jPAhXlx4MKHcDMDXgQ6AEINzAE Cannot open logfile The LAMMPS log file named in a command-line argument cannot be opened. Lammps Neighbor Cannot create_box after simulation box is defined The create_box command cannot be used after a read_data, read_restart, or create_box command. Lammps Neigh_modify Cannot use newton pair with gauss/gpu pair style Self-explanatory.
FRAGSTATS is a compute-intensive program; its performance is dependent on both processor speed and computer memory (RAM). Cannot use newton pair with lj/class2/coul/long/gpu pair style Self-explanatory. Cannot evaporate atoms in atom_modify first group This is a restriction due to the way atoms are organized in a list to enable the atom_modify first command. Cannot use newton pair with gayberne/gpu pair style Self-explanatory. Read_data Lammps
Check that the path and name are correct. See doc page discussion of command-line switches. Could not find dump modify variable name Self-explanatory. Cannot wiggle and shear fix wall/gran Cannot specify both options at the same time.
Please report it to the developers. Lammps Errors Could not count initial bonds in fix bond/create Could not find one of the atoms in a bond on this processor. a repeatable core dump I'm running namd on a Solaris 48-way Sparc SMP machine with MPI The code crashed in the half way when trying alanine case Info: NAMD 2.6b1 for
Atom_style tri can only be used in 3d simulations Self-explanatory. A WARNING message that is generated in the middle of a run is only printed to the screen, not to the logfile, to avoid cluttering up thermodynamic output. Available at the following web site: http://www.umass.edu/landeco/research/fragstats/fragstats.html Q3. Atom Style Lammps Cannot use fix box/relax with both relaxation and scaling on a tilt factor When specifying scaling on a tilt factor component, that component can not also be controlled by the barostat.
Bond_style command when no bonds allowed The chosen atom style does not allow for bonds to be defined. Cannot use chosen neighbor list style with pair eam/kk That style is not supported by Kokkos. Sometimes it will print a WARNING to the screen and logfile and continue on; you can decide if the WARNING is important or not. Cannot use fix nvt/npt/nph with yz scaling when z is non-periodic dimension The 2nd dimension in the barostatted tilt factor must be periodic.
This error should not occur for typical problems. Compute ID for fix store/state does not exist Self-explanatory. If not, send an email to the mailing list describing the problem with any ideas you have as to what is causing it or where in the code the problem might All atoms of a swapped type must have same charge.
As noted in the user guidelines under data formats and in the installation instructions on the downloads page, if you wish to use FRAGSTATS with ESRI Grids (version 10.0 or earlier), Cannot use fix nvt/npt/nph on a 2nd non-periodic dimension When specifying an off-diagonal pressure component, the 2nd of the two dimensions must be periodic. These should absolutely be reported since a repeatable bug is a fixable bug, and the same bug may be causing random crashes for less fortunate users. Check that the path and name are correct.
Dongshan On Tue, May 25, 2010 at 12:43 PM, Axel Kohlmeyer
Bad TIP4P bond type for PPPM/TIP4P Specified bond type is not valid.