forked from lijiext/lammps
add placeholders to include files for error messges
This commit is contained in:
parent
0bfb6f0c2a
commit
5221ac2d55
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@ -113,13 +113,13 @@ E: Pair style requires use of kspace_style ewald/disp
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Self-explanatory.
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E: Pair style lj/long/dipole/long does not currently support respa
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This feature is not yet supported.
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E: Pair cutoff < Respa interior cutoff
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One or more pairwise cutoffs are too short to use with the specified
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rRESPA cutoffs.
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U: Pair style lj/long/dipole/long does not currently support respa
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This feature is not yet supported.
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*/
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@ -50,11 +50,6 @@ class FixGPU : public Fix {
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/* ERROR/WARNING messages:
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E: Cannot use GPU package with USER-CUDA package enabled
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You cannot use both the GPU and USER-CUDA packages
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together. Use one or the other.
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E: Illegal ... command
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Self-explanatory. Check the input script syntax and compare to the
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@ -91,4 +86,9 @@ E: Cannot use neigh_modify exclude with GPU neighbor builds
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This is a current limitation of the GPU implementation
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in LAMMPS.
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U: Cannot use GPU package with USER-CUDA package enabled
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You cannot use both the GPU and USER-CUDA packages
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together. Use one or the other.
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*/
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@ -54,14 +54,21 @@ E: Insufficient memory on accelerator
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There is insufficient memory on one of the devices specified for the gpu
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package
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E: Pair style tersoff/gpu requires newton pair off
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E: Pair style tersoff/mod/gpu requires atom IDs
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See the newton command. This is a restriction to use this pair style.
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UNDOCUMENTED
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E: Pair style tersoff/mod/gpu requires newton pair off
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UNDOCUMENTED
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E: All pair coeffs are not set
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All pair coefficients must be set in the data file or by the
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pair_coeff command before running a simulation.
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*/
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U: Pair style tersoff/gpu requires newton pair off
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See the newton command. This is a restriction to use this pair style.
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*/
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@ -54,14 +54,21 @@ E: Insufficient memory on accelerator
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There is insufficient memory on one of the devices specified for the gpu
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package
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E: Pair style tersoff/gpu requires newton pair off
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E: Pair style tersoff/zbl/gpu requires atom IDs
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See the newton command. This is a restriction to use this pair style.
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UNDOCUMENTED
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E: Pair style tersoff/zbl/gpu requires newton pair off
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UNDOCUMENTED
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E: All pair coeffs are not set
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All pair coefficients must be set in the data file or by the
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pair_coeff command before running a simulation.
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*/
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U: Pair style tersoff/gpu requires newton pair off
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See the newton command. This is a restriction to use this pair style.
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*/
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@ -102,4 +102,12 @@ outside a processor's sub-domain or even the entire simulation box.
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This indicates bad physics, e.g. due to highly overlapping atoms, too
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large a timestep, etc.
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E: Cannot (yet) use K-space slab correction with compute group/group for triclinic systems
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UNDOCUMENTED
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E: Cannot (yet) use kspace_modify diff ad with compute group/group
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UNDOCUMENTED
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*/
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@ -101,6 +101,10 @@ E: Fix wall/gran requires atom style sphere
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Self-explanatory.
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E: Invalid fix wall/gran interaction style
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UNDOCUMENTED
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E: Cannot use wall in periodic dimension
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Self-explanatory.
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@ -117,7 +121,11 @@ E: Invalid shear direction for fix wall/gran
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Self-explanatory.
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E: Fix wall/gran is incompatible with Pair style
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E: Cannot wiggle or shear with fix wall/gran/region
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UNDOCUMENTED
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U: Fix wall/gran is incompatible with Pair style
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Must use a granular pair style to define the parameters needed for
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this fix.
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@ -71,33 +71,49 @@ class FixWallGranRegion : public FixWallGran {
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/* ERROR/WARNING messages:
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E: Illegal ... command
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E: Region ID for fix wall/gran/region does not exist
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UNDOCUMENTED
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W: Region properties for region %s changed between runs, resetting its motion
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UNDOCUMENTED
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W: Region properties for region %s are inconsistent with restart file, resetting its motion
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UNDOCUMENTED
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E: Too many wall/gran/region contacts for one particle
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UNDOCUMENTED
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U: Illegal ... command
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Self-explanatory. Check the input script syntax and compare to the
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documentation for the command. You can use -echo screen as a
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command-line option when running LAMMPS to see the offending line.
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E: Fix wall/gran requires atom style sphere
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U: Fix wall/gran requires atom style sphere
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Self-explanatory.
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E: Cannot use wall in periodic dimension
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U: Cannot use wall in periodic dimension
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Self-explanatory.
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E: Cannot wiggle and shear fix wall/gran
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U: Cannot wiggle and shear fix wall/gran
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Cannot specify both options at the same time.
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E: Invalid wiggle direction for fix wall/gran
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U: Invalid wiggle direction for fix wall/gran
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Self-explanatory.
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E: Invalid shear direction for fix wall/gran
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U: Invalid shear direction for fix wall/gran
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Self-explanatory.
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E: Fix wall/gran is incompatible with Pair style
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U: Fix wall/gran is incompatible with Pair style
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Must use a granular pair style to define the parameters needed for
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this fix.
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@ -90,12 +90,16 @@ E: Pair granular requires ghost atoms store velocity
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Use the comm_modify vel yes command to enable this.
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E: Pair granular with shear history requires newton pair off
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E: Could not find pair fix neigh history ID
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UNDOCUMENTED
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U: Pair granular with shear history requires newton pair off
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This is a current restriction of the implementation of pair
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granular styles with history.
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E: Could not find pair fix ID
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U: Could not find pair fix ID
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A fix is created internally by the pair style to store shear
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history information. You cannot delete it.
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@ -197,24 +197,40 @@ E: Unknown unit_style
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Self-explanatory. Check the input script or data file.
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W: KIM Model does not provide 'energy'; Potential energy will be zero
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W: KIM Model does not provide `energy'; Potential energy will be zero
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Self-explanatory.
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UNDOCUMENTED
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W: KIM Model does not provide 'forces'; Forces will be zero
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W: KIM Model does not provide `forces'; Forces will be zero
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Self-explanatory.
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UNDOCUMENTED
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W: KIM Model does not provide 'particleEnergy'; energy per atom will be zero
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W: KIM Model does not provide `particleEnergy'; energy per atom will be zero
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Self-explanatory.
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UNDOCUMENTED
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W: KIM Model does not provide 'particleVirial'; virial per atom will be zero
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W: KIM Model does not provide `particleVirial'; virial per atom will be zero
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Self-explanatory.
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UNDOCUMENTED
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E: Test_descriptor_string already allocated
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This is an internal error. Contact the developers.
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U: KIM Model does not provide 'energy'; Potential energy will be zero
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Self-explanatory.
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U: KIM Model does not provide 'forces'; Forces will be zero
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Self-explanatory.
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U: KIM Model does not provide 'particleEnergy'; energy per atom will be zero
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Self-explanatory.
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U: KIM Model does not provide 'particleVirial'; virial per atom will be zero
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Self-explanatory.
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*/
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@ -154,7 +154,15 @@ E: Per-processor system is too big
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The number of owned atoms plus ghost atoms on a single
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processor must fit in 32-bit integer.
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E: Invalid atom type in Atoms section of data file
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E: AtomVecHybridKokkos doesn't yet support threaded comm
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UNDOCUMENTED
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E: Invalid atom h_type in Atoms section of data file
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UNDOCUMENTED
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U: Invalid atom type in Atoms section of data file
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Atom types must range from 1 to specified # of types.
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@ -107,7 +107,11 @@ class ImproperClass2Kokkos : public ImproperClass2 {
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/* ERROR/WARNING messages:
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W: Dihedral problem
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W: Improper problem
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UNDOCUMENTED
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U: Dihedral problem
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Conformation of the 4 listed dihedral atoms is extreme; you may want
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to check your simulation geometry.
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@ -67,7 +67,7 @@ Self-explanatory. Check the input script syntax and compare to the
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documentation for the command. You can use -echo screen as a
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command-line option when running LAMMPS to see the offending line.
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E: Must use Kokkos half/thread or full neighbor list with threads or GPUs
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U: Must use Kokkos half/thread or full neighbor list with threads or GPUs
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Using Kokkos half-neighbor lists with threading is not allowed.
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@ -187,14 +187,6 @@ class PairTableKokkos : public PairTable {
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/* ERROR/WARNING messages:
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E: Pair distance < table inner cutoff
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Two atoms are closer together than the pairwise table allows.
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E: Pair distance > table outer cutoff
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Two atoms are further apart than the pairwise table allows.
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E: Illegal ... command
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Self-explanatory. Check the input script syntax and compare to the
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@ -209,54 +201,62 @@ E: Illegal number of pair table entries
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There must be at least 2 table entries.
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E: Invalid pair table length
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Length of read-in pair table is invalid
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E: Invalid pair table cutoff
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Cutoffs in pair_coeff command are not valid with read-in pair table.
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E: Bitmapped table in file does not match requested table
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Setting for bitmapped table in pair_coeff command must match table
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in file exactly.
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E: All pair coeffs are not set
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All pair coefficients must be set in the data file or by the
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pair_coeff command before running a simulation.
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E: Cannot open file %s
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E: Cannot use chosen neighbor list style with lj/cut/kk
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That style is not supported by Kokkos.
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U: Pair distance < table inner cutoff
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Two atoms are closer together than the pairwise table allows.
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U: Pair distance > table outer cutoff
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Two atoms are further apart than the pairwise table allows.
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U: Invalid pair table length
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Length of read-in pair table is invalid
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U: Invalid pair table cutoff
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Cutoffs in pair_coeff command are not valid with read-in pair table.
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U: Bitmapped table in file does not match requested table
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Setting for bitmapped table in pair_coeff command must match table
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in file exactly.
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U: Cannot open file %s
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The specified file cannot be opened. Check that the path and name are
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correct. If the file is a compressed file, also check that the gzip
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executable can be found and run.
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E: Did not find keyword in table file
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U: Did not find keyword in table file
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Keyword used in pair_coeff command was not found in table file.
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E: Bitmapped table is incorrect length in table file
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U: Bitmapped table is incorrect length in table file
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Number of table entries is not a correct power of 2.
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E: Invalid keyword in pair table parameters
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U: Invalid keyword in pair table parameters
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Keyword used in list of table parameters is not recognized.
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E: Pair table parameters did not set N
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U: Pair table parameters did not set N
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List of pair table parameters must include N setting.
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E: Pair table cutoffs must all be equal to use with KSpace
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U: Pair table cutoffs must all be equal to use with KSpace
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When using pair style table with a long-range KSpace solver, the
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cutoffs for all atom type pairs must all be the same, since the
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long-range solver starts at that cutoff.
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E: Cannot use chosen neighbor list style with lj/cut/kk
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That style is not supported by Kokkos.
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*/
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@ -129,18 +129,22 @@ class PairYukawaKokkos : public PairYukawa {
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/* ERROR/WARNING messages:
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E: Illegal ... command
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E: Cannot use Kokkos pair style with rRESPA inner/middle
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Self-explanatory. Check the input script syntax and compare to the
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documentation for the command. You can use -echo screen as a
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command-line option when running LAMMPS to see the offending line.
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E: Incorrect args for pair coefficients
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Self-explanatory. Check the input script or data file.
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UNDOCUMENTED
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E: Cannot use chosen neighbor list style with yukawa/kk
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That style is not supported by Kokkos.
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U: Illegal ... command
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Self-explanatory. Check the input script syntax and compare to the
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documentation for the command. You can use -echo screen as a
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command-line option when running LAMMPS to see the offending line.
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U: Incorrect args for pair coefficients
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Self-explanatory. Check the input script or data file.
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*/
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@ -110,4 +110,12 @@ class PairZBLKokkos : public PairZBL {
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/* ERROR/WARNING messages:
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E: Cannot use Kokkos pair style with rRESPA inner/middle
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UNDOCUMENTED
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E: Cannot use chosen neighbor list style with lj/cut/kk
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UNDOCUMENTED
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*/
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@ -432,9 +432,9 @@ Self-explanatory. Check the input script syntax and compare to the
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documentation for the command. You can use -echo screen as a
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command-line option when running LAMMPS to see the offending line.
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E: Cannot (yet) use PPPM with triclinic box and kspace_modify diff ad
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E: Cannot (yet) use PPPM Kokkos with 'kspace_modify diff ad'
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This feature is not yet supported.
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UNDOCUMENTED
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E: Cannot (yet) use PPPM with triclinic box and slab correction
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@ -449,9 +449,9 @@ E: PPPM can only currently be used with comm_style brick
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This is a current restriction in LAMMPS.
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E: Kspace style requires atom attribute q
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E: Kspace style requires atomKK attribute q
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The atom style defined does not have these attributes.
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UNDOCUMENTED
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E: Cannot use nonperiodic boundaries with PPPM
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@ -473,26 +473,9 @@ E: KSpace style is incompatible with Pair style
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Setting a kspace style requires that a pair style with matching
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long-range Coulombic or dispersion components be used.
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E: Pair style is incompatible with TIP4P KSpace style
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E: Cannot (yet) use PPPM Kokkos TIP4P
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The pair style does not have the requires TIP4P settings.
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E: Bond and angle potentials must be defined for TIP4P
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Cannot use TIP4P pair potential unless bond and angle potentials
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are defined.
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E: Bad TIP4P angle type for PPPM/TIP4P
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Specified angle type is not valid.
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E: Bad TIP4P bond type for PPPM/TIP4P
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Specified bond type is not valid.
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E: Cannot (yet) use PPPM with triclinic box and TIP4P
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|
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This feature is not yet supported.
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UNDOCUMENTED
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W: Reducing PPPM order b/c stencil extends beyond nearest neighbor processor
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@ -512,11 +495,9 @@ E: KSpace accuracy must be > 0
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The kspace accuracy designated in the input must be greater than zero.
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E: Could not compute grid size
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E: Must use 'kspace_modify gewald' for uncharged system
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The code is unable to compute a grid size consistent with the desired
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accuracy. This error should not occur for typical problems. Please
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send an email to the developers.
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UNDOCUMENTED
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E: PPPM grid is too large
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@ -550,4 +531,39 @@ outside a processor's sub-domain or even the entire simulation box.
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This indicates bad physics, e.g. due to highly overlapping atoms, too
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large a timestep, etc.
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U: Cannot (yet) use PPPM with triclinic box and kspace_modify diff ad
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|
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This feature is not yet supported.
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U: Kspace style requires atom attribute q
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The atom style defined does not have these attributes.
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U: Pair style is incompatible with TIP4P KSpace style
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The pair style does not have the requires TIP4P settings.
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U: Bond and angle potentials must be defined for TIP4P
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Cannot use TIP4P pair potential unless bond and angle potentials
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are defined.
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U: Bad TIP4P angle type for PPPM/TIP4P
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Specified angle type is not valid.
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U: Bad TIP4P bond type for PPPM/TIP4P
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Specified bond type is not valid.
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U: Cannot (yet) use PPPM with triclinic box and TIP4P
|
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|
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This feature is not yet supported.
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||||
|
||||
U: Could not compute grid size
|
||||
|
||||
The code is unable to compute a grid size consistent with the desired
|
||||
accuracy. This error should not occur for typical problems. Please
|
||||
send an email to the developers.
|
||||
|
||||
*/
|
||||
|
|
|
@ -122,6 +122,10 @@ E: KSpace accuracy must be > 0
|
|||
|
||||
The kspace accuracy designated in the input must be greater than zero.
|
||||
|
||||
E: Must use 'kspace_modify gewald' for uncharged system
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Cannot (yet) use K-space slab correction with compute group/group for triclinic systems
|
||||
|
||||
This option is not yet supported.
|
||||
|
|
|
@ -146,6 +146,14 @@ W: System is not charge neutral, net charge = %g
|
|||
The total charge on all atoms on the system is not 0.0.
|
||||
For some KSpace solvers this is only a warning.
|
||||
|
||||
E: KSpace accuracy must be > 0
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Must use 'kspace_modify gewald' for uncharged system
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
W: Ewald/disp Newton solver failed, using old method to estimate g_ewald
|
||||
|
||||
Self-explanatory. Choosing a different cutoff value may help.
|
||||
|
|
|
@ -101,9 +101,9 @@ E: Incorrect args for pair coefficients
|
|||
|
||||
Self-explanatory. Check the input script or data file.
|
||||
|
||||
E: Pair style buck/long/coul/long requires atom attribute q
|
||||
E: Invoking coulombic in pair style buck/long/coul/long requires atom attribute q
|
||||
|
||||
The atom style defined does not have this attribute.
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Pair style requires a KSpace style
|
||||
|
||||
|
@ -119,4 +119,8 @@ E: Pair cutoff < Respa interior cutoff
|
|||
One or more pairwise cutoffs are too short to use with the specified
|
||||
rRESPA cutoffs.
|
||||
|
||||
U: Pair style buck/long/coul/long requires atom attribute q
|
||||
|
||||
The atom style defined does not have this attribute.
|
||||
|
||||
*/
|
||||
|
|
|
@ -97,9 +97,9 @@ E: Incorrect args for pair coefficients
|
|||
|
||||
Self-explanatory. Check the input script or data file.
|
||||
|
||||
E: Invoking coulombic in pair style lj/coul requires atom attribute q
|
||||
E: Invoking coulombic in pair style lj/long/coul/long requires atom attribute q
|
||||
|
||||
The atom style defined does not have this attribute.
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Pair style requires a KSpace style
|
||||
|
||||
|
@ -110,4 +110,8 @@ E: Pair cutoff < Respa interior cutoff
|
|||
One or more pairwise cutoffs are too short to use with the specified
|
||||
rRESPA cutoffs.
|
||||
|
||||
U: Invoking coulombic in pair style lj/coul requires atom attribute q
|
||||
|
||||
The atom style defined does not have this attribute.
|
||||
|
||||
*/
|
||||
|
|
|
@ -209,6 +209,10 @@ Self-explanatory. Check the input script syntax and compare to the
|
|||
documentation for the command. You can use -echo screen as a
|
||||
command-line option when running LAMMPS to see the offending line.
|
||||
|
||||
E: Must redefine kspace_style after changing to triclinic box
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Cannot (yet) use PPPM with triclinic box and kspace_modify diff ad
|
||||
|
||||
This feature is not yet supported.
|
||||
|
@ -267,10 +271,6 @@ E: Bad TIP4P bond type for PPPM/TIP4P
|
|||
|
||||
Specified bond type is not valid.
|
||||
|
||||
E: Cannot (yet) use PPPM with triclinic box and TIP4P
|
||||
|
||||
This feature is not yet supported.
|
||||
|
||||
W: Reducing PPPM order b/c stencil extends beyond nearest neighbor processor
|
||||
|
||||
This may lead to a larger grid than desired. See the kspace_modify overlap
|
||||
|
@ -289,6 +289,10 @@ E: KSpace accuracy must be > 0
|
|||
|
||||
The kspace accuracy designated in the input must be greater than zero.
|
||||
|
||||
E: Must use kspace_modify gewald for uncharged system
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Could not compute grid size
|
||||
|
||||
The code is unable to compute a grid size consistent with the desired
|
||||
|
@ -335,4 +339,8 @@ E: Cannot (yet) use kspace_modify diff ad with compute group/group
|
|||
|
||||
This option is not yet supported.
|
||||
|
||||
U: Cannot (yet) use PPPM with triclinic box and TIP4P
|
||||
|
||||
This feature is not yet supported.
|
||||
|
||||
*/
|
||||
|
|
|
@ -64,10 +64,54 @@ class FixLatte : public Fix {
|
|||
|
||||
/* ERROR/WARNING messages:
|
||||
|
||||
E: Must use units metal with fix latte command
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Fix latte currently runs only in serial
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: LAMMPS is linked against incompatible LATTE library
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Illegal ... command
|
||||
|
||||
Self-explanatory. Check the input script syntax and compare to the
|
||||
documentation for the command. You can use -echo screen as a
|
||||
command-line option when running LAMMPS to see the offending line.
|
||||
|
||||
E: Fix latte does not yet support a LAMMPS calculation of a Coulomb potential
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Could not find fix latte compute ID
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Fix latte compute ID does not compute pe/atom
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Fix latte requires 3d problem
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Fix latte cannot compute Coulomb potential
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Fix latte requires 3d simulation
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
W: Fix latte should come after all other integration fixes
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Internal LATTE problem
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
*/
|
||||
|
|
|
@ -286,4 +286,8 @@ E: Incorrect table format check for element types
|
|||
|
||||
Self-explanatory.
|
||||
|
||||
E: Unsupported BOP potential file format
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
*/
|
||||
|
|
|
@ -134,4 +134,8 @@ E: Cannot open EAM potential file %s
|
|||
The specified EAM potential file cannot be opened. Check that the
|
||||
path and name are correct.
|
||||
|
||||
E: Invalid EAM potential file
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
*/
|
||||
|
|
|
@ -62,4 +62,8 @@ E: Incorrect element names in EAM potential file
|
|||
|
||||
The element names in the EAM file do not match those requested.
|
||||
|
||||
E: Invalid EAM potential file
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
*/
|
||||
|
|
|
@ -62,4 +62,8 @@ E: Incorrect element names in EAM potential file
|
|||
|
||||
The element names in the EAM file do not match those requested.
|
||||
|
||||
E: Invalid EAM potential file
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
*/
|
||||
|
|
|
@ -521,7 +521,8 @@ void PairGW::setup_params()
|
|||
for (m = 0; m < nparams; m++) {
|
||||
if (i == params[m].ielement && j == params[m].jelement &&
|
||||
k == params[m].kelement) {
|
||||
if (n >= 0) error->all(FLERR,"Potential file has duplicate entry");
|
||||
if (n >= 0)
|
||||
error->all(FLERR,"Potential file has duplicate entry");
|
||||
n = m;
|
||||
}
|
||||
}
|
||||
|
|
|
@ -185,12 +185,10 @@ invalid.
|
|||
|
||||
E: Potential file has duplicate entry
|
||||
|
||||
The potential file for a SW or GW potential has more than
|
||||
one entry for the same 3 ordered elements.
|
||||
The potential file has more than one entry for the same element.
|
||||
|
||||
E: Potential file is missing an entry
|
||||
|
||||
The potential file for a SW or GW potential does not have a
|
||||
needed entry.
|
||||
The potential file does not have a needed entry.
|
||||
|
||||
*/
|
||||
|
|
|
@ -51,9 +51,9 @@ class PairGWZBL : public PairGW {
|
|||
|
||||
/* ERROR/WARNING messages:
|
||||
|
||||
E: Pair GW/zbl requires metal or real units
|
||||
E: Pair gw/zbl requires metal or real units
|
||||
|
||||
This is a current restriction of this pair potential.
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Cannot open GW potential file %s
|
||||
|
||||
|
@ -69,4 +69,8 @@ E: Illegal GW parameter
|
|||
One or more of the coefficients defined in the potential file is
|
||||
invalid.
|
||||
|
||||
U: Pair GW/zbl requires metal or real units
|
||||
|
||||
This is a current restriction of this pair potential.
|
||||
|
||||
*/
|
||||
|
|
|
@ -358,4 +358,12 @@ E: Element not defined in potential file
|
|||
|
||||
The specified element is not in the potential file.
|
||||
|
||||
E: Potential file incompatible with this pair style version
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Error reading potential file header
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
*/
|
||||
|
|
|
@ -55,11 +55,11 @@ E: Illegal Tersoff parameter
|
|||
One or more of the coefficients defined in the potential file is
|
||||
invalid.
|
||||
|
||||
E: Potential file has duplicate entry
|
||||
U: Potential file has duplicate entry
|
||||
|
||||
The potential file has more than one entry for the same element.
|
||||
|
||||
E: Potential file is missing an entry
|
||||
U: Potential file is missing an entry
|
||||
|
||||
The potential file does not have a needed entry.
|
||||
|
||||
|
|
|
@ -57,43 +57,47 @@ Self-explanatory. Check the input script syntax and compare to the
|
|||
documentation for the command. You can use -echo screen as a
|
||||
command-line option when running LAMMPS to see the offending line.
|
||||
|
||||
E: Incorrect args for pair coefficients
|
||||
E: Illegal inner cutoff for tabulation
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
U: Incorrect args for pair coefficients
|
||||
|
||||
Self-explanatory. Check the input script or data file.
|
||||
|
||||
E: Pair style Vashishta requires atom IDs
|
||||
U: Pair style Vashishta requires atom IDs
|
||||
|
||||
This is a requirement to use the Vashishta potential.
|
||||
|
||||
E: Pair style Vashishta requires newton pair on
|
||||
U: Pair style Vashishta requires newton pair on
|
||||
|
||||
See the newton command. This is a restriction to use the Vashishta
|
||||
potential.
|
||||
|
||||
E: All pair coeffs are not set
|
||||
U: All pair coeffs are not set
|
||||
|
||||
All pair coefficients must be set in the data file or by the
|
||||
pair_coeff command before running a simulation.
|
||||
|
||||
E: Cannot open Vashishta potential file %s
|
||||
U: Cannot open Vashishta potential file %s
|
||||
|
||||
The specified Vashishta potential file cannot be opened. Check that the path
|
||||
and name are correct.
|
||||
|
||||
E: Incorrect format in Vashishta potential file
|
||||
U: Incorrect format in Vashishta potential file
|
||||
|
||||
Incorrect number of words per line in the potential file.
|
||||
|
||||
E: Illegal Vashishta parameter
|
||||
U: Illegal Vashishta parameter
|
||||
|
||||
One or more of the coefficients defined in the potential file is
|
||||
invalid.
|
||||
|
||||
E: Potential file has duplicate entry
|
||||
U: Potential file has duplicate entry
|
||||
|
||||
The potential file has more than one entry for the same element.
|
||||
|
||||
E: Potential file is missing an entry
|
||||
U: Potential file is missing an entry
|
||||
|
||||
The potential file does not have a needed entry.
|
||||
|
||||
|
|
|
@ -197,10 +197,26 @@ E: Fix gcmc atom has charge, but atom style does not
|
|||
|
||||
Self-explanatory.
|
||||
|
||||
E: Cannot use fix gcmc rigid and not molecule
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Cannot use fix gcmc shake and not molecule
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
E: Cannot use fix gcmc rigid and shake
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Cannot use fix gcmc rigid with MC moves
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Cannot use fix gcmc shake with MC moves
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Molecule template ID for fix gcmc does not exist
|
||||
|
||||
Self-explanatory.
|
||||
|
@ -222,17 +238,6 @@ included one or more of the following: kspace, a hybrid
|
|||
pair style, an eam pair style, tail correction,
|
||||
or no "single" function for the pair style.
|
||||
|
||||
W: Energy of old configuration in fix gcmc is > MAXENERGYTEST.
|
||||
|
||||
This probably means that a pair of atoms are closer than the
|
||||
overlap cutoff distance for keyword overlap_cutoff.
|
||||
|
||||
W: Fix gcmc is being applied to the default group all
|
||||
|
||||
This is allowed, but it will result in Monte Carlo moves
|
||||
being performed on all the atoms in the system, which is
|
||||
often not what is intended.
|
||||
|
||||
E: Invalid atom type in fix gcmc command
|
||||
|
||||
The atom type specified in the gcmc command does not exist.
|
||||
|
@ -256,6 +261,14 @@ Should not choose the gcmc molecule feature if no molecules are being
|
|||
simulated. The general molecule flag is off, but gcmc's molecule flag
|
||||
is on.
|
||||
|
||||
E: Fix gcmc rigid fix does not exist
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Fix gcmc and fix rigid/small not using same molecule template ID
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Fix gcmc shake fix does not exist
|
||||
|
||||
Self-explanatory.
|
||||
|
@ -264,10 +277,6 @@ E: Fix gcmc and fix shake not using same molecule template ID
|
|||
|
||||
Self-explanatory.
|
||||
|
||||
E: Fix gcmc can not currently be used with fix rigid or fix rigid/small
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
E: Cannot use fix gcmc in a 2d simulation
|
||||
|
||||
Fix gcmc is set up to run in 3d only. No 2d simulations with fix gcmc
|
||||
|
@ -291,10 +300,25 @@ E: Cannot do GCMC on 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.
|
||||
|
||||
W: Fix gcmc is being applied to the default group all
|
||||
|
||||
This is allowed, but it will result in Monte Carlo moves
|
||||
being performed on all the atoms in the system, which is
|
||||
often not what is intended.
|
||||
|
||||
E: Could not find specified fix gcmc group ID
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
E: fix gcmc does currently not support full_energy option with molecules on more than 1 MPI process.
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
W: Energy of old configuration in fix gcmc is > MAXENERGYTEST.
|
||||
|
||||
This probably means that a pair of atoms are closer than the
|
||||
overlap cutoff distance for keyword overlap_cutoff.
|
||||
|
||||
E: Fix gcmc put atom outside box
|
||||
|
||||
This should not normally happen. Contact the developers.
|
||||
|
@ -311,4 +335,8 @@ E: Too many total atoms
|
|||
|
||||
See the setting for bigint in the src/lmptype.h file.
|
||||
|
||||
U: Fix gcmc can not currently be used with fix rigid or fix rigid/small
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
*/
|
||||
|
|
|
@ -106,6 +106,10 @@ class PairMEAM : public Pair {
|
|||
|
||||
/* ERROR/WARNING messages:
|
||||
|
||||
W: The pair_style meam command is unsupported. Please use pair_style meam/c instead
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: MEAM library error %d
|
||||
|
||||
A call to the MEAM Fortran library returned an error.
|
||||
|
|
|
@ -137,9 +137,9 @@ E: Region ID for fix deposit does not exist
|
|||
|
||||
Self-explanatory.
|
||||
|
||||
E: Fix pour rigid fix does not exist
|
||||
E: Fix deposit rigid fix does not exist
|
||||
|
||||
Self-explanatory.
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Fix deposit and fix rigid/small not using same molecule template ID
|
||||
|
||||
|
@ -159,6 +159,10 @@ This test is performed for finite size particles with a diameter, not
|
|||
for point particles. The near setting is smaller than the particle
|
||||
diameter which can lead to overlaps.
|
||||
|
||||
E: Unknown particle distribution in fix deposit
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
W: Particle deposition was unsuccessful
|
||||
|
||||
The fix deposit command was not able to insert as many atoms as
|
||||
|
@ -177,4 +181,8 @@ E: Molecule template ID for fix deposit does not exist
|
|||
|
||||
Self-explanatory.
|
||||
|
||||
U: Fix pour rigid fix does not exist
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
*/
|
||||
|
|
|
@ -117,4 +117,8 @@ E: Angle table parameters did not set N
|
|||
|
||||
List of angle table parameters must include N setting.
|
||||
|
||||
E: Illegal angle in angle style table
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
*/
|
||||
|
|
|
@ -110,6 +110,18 @@ E: Did not find keyword in table file
|
|||
|
||||
Keyword used in pair_coeff command was not found in table file.
|
||||
|
||||
E: Premature end of file in bond table
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
W: %d of %d force values in table are inconsistent with -dE/dr.\n Should only be flagged at inflection points
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
W: %d of %d lines in table were incomplete or could not be parsed completely
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Invalid keyword in bond table parameters
|
||||
|
||||
Self-explanatory.
|
||||
|
@ -118,4 +130,16 @@ E: Bond table parameters did not set N
|
|||
|
||||
List of bond table parameters must include N setting.
|
||||
|
||||
E: Illegal bond in bond style table
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Bond length < table inner cutoff: type %d length %g
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Bond length > table outer cutoff: type %d length %g
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
*/
|
||||
|
|
|
@ -69,6 +69,18 @@ E: Incorrect weight arg for dihedral coefficients
|
|||
|
||||
Self-explanatory. Check the input script or data file.
|
||||
|
||||
E: Dihedral style charmm must be set to same r-RESPA level as 'pair'
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Dihedral style charmm must be set to same r-RESPA level as 'outer'
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Must use 'special_bonds charmm' with dihedral style charmm for use with CHARMM pair styles
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Dihedral charmm is incompatible with Pair style
|
||||
|
||||
Dihedral style charmm must be used with a pair style charmm
|
||||
|
|
|
@ -73,6 +73,18 @@ E: Incorrect weight arg for dihedral coefficients
|
|||
|
||||
Self-explanatory. Check the input script or data file.
|
||||
|
||||
E: Dihedral style charmmfsw must be set to same r-RESPA level as 'pair'
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Dihedral style charmmfsw must be set to same r-RESPA level as 'outer'
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Must use 'special_bonds charmm' with dihedral style charmm for use with CHARMM pair styles
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Dihedral charmmfsw is incompatible with Pair style
|
||||
|
||||
Dihedral style charmmfsw must be used with a pair style charmm
|
||||
|
|
|
@ -128,3 +128,39 @@ class FixCMAP : public Fix {
|
|||
|
||||
#endif
|
||||
#endif
|
||||
|
||||
/* ERROR/WARNING messages:
|
||||
|
||||
E: Illegal ... command
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: CMAP atoms %d %d %d %d %d missing on proc %d at step %ld
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Invalid CMAP crossterm_type
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Cannot open fix cmap file %s
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: CMAP: atan2 function cannot take 2 zero arguments
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Invalid read data header line for fix cmap
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Incorrect %s format in data file
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Too many CMAP crossterms for one atom
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
*/
|
||||
|
|
|
@ -80,9 +80,12 @@ E: Pair style lj/charmmfsw/coul/charmmfsh requires atom attribute q
|
|||
|
||||
The atom style defined does not have these attributes.
|
||||
|
||||
E: Pair inner cutoff >= Pair outer cutoff
|
||||
E: Pair inner lj cutoff >= Pair outer lj cutoff
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
U: Pair inner cutoff >= Pair outer cutoff
|
||||
|
||||
The specified cutoffs for the pair style are inconsistent.
|
||||
|
||||
*/
|
||||
|
||||
|
|
|
@ -79,10 +79,9 @@ E: Too much per-proc info for dump
|
|||
Number of local atoms times number of columns must fit in a 32-bit
|
||||
integer for dump.
|
||||
|
||||
E: Dump_modify format string is too short
|
||||
E: Dump_modify format line is too short
|
||||
|
||||
There are more fields to be dumped in a line of output than your
|
||||
format string specifies.
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Could not find dump custom compute ID
|
||||
|
||||
|
@ -105,4 +104,9 @@ E: Region ID for dump custom does not exist
|
|||
|
||||
Self-explanatory.
|
||||
|
||||
U: Dump_modify format string is too short
|
||||
|
||||
There are more fields to be dumped in a line of output than your
|
||||
format string specifies.
|
||||
|
||||
*/
|
||||
|
|
|
@ -59,19 +59,29 @@ Self-explanatory. Check the input script syntax and compare to the
|
|||
documentation for the command. You can use -echo screen as a
|
||||
command-line option when running LAMMPS to see the offending line.
|
||||
|
||||
E: Fix mscg does not yet support mpi
|
||||
E: Fix mscg does not yet support parallel use via MPI
|
||||
|
||||
Self-explanatory.
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Fix mscg must be used with 32-bit atom IDs
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Fix mscg does not yet support triclinic geometries
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
E: Bond/Angle/Dihedral list overflow, boost fix_mscg max
|
||||
E: Bond list overflow, boost fix_mscg max
|
||||
|
||||
A site has more bond/angle/dihedral partners that the maximum and
|
||||
has overflowed the bond/angle/dihedral partners list. Increase the
|
||||
corresponding fix_mscg max arg.
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Angle list overflow, boost fix_mscg max
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Dihedral list overflow, boost fix_mscg max
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
W: Fix mscg n_frames is inconsistent with control.in
|
||||
|
||||
|
@ -87,4 +97,14 @@ that should be a divisor of the number of frames processed by the
|
|||
fix mscg command. If not, the fix will still run, but some frames may
|
||||
not be included in the MSCG calculations.
|
||||
|
||||
U: Fix mscg does not yet support mpi
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
U: Bond/Angle/Dihedral list overflow, boost fix_mscg max
|
||||
|
||||
A site has more bond/angle/dihedral partners that the maximum and
|
||||
has overflowed the bond/angle/dihedral partners list. Increase the
|
||||
corresponding fix_mscg max arg.
|
||||
|
||||
*/
|
||||
|
|
|
@ -51,4 +51,16 @@ Self-explanatory. Check the input script syntax and compare to the
|
|||
documentation for the command. You can use -echo screen as a
|
||||
command-line option when running LAMMPS to see the offending line.
|
||||
|
||||
E: Unsupported callback name for fix python/invoke
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Could not initialize embedded Python
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Could not find Python function
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
*/
|
||||
|
|
|
@ -58,7 +58,47 @@ class FixPythonMove : public Fix {
|
|||
|
||||
/* ERROR/WARNING messages:
|
||||
|
||||
E: Illegal ... command
|
||||
E: Fix python/integrate requires fully qualified class name
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Loading python integrator module failure
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Could not find integrator class in module'
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Could not instantiate instance of integrator class'
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Could not find 'init' method'
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Could not find 'initial_integrate' method'
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Could not find 'final_integrate' method'
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Could not find 'initial_integrate_respa' method'
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Could not find 'final_integrate_respa' method'
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Could not find 'reset_dt' method'
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
U: Illegal ... command
|
||||
|
||||
Self-explanatory. Check the input script syntax and compare to the
|
||||
documentation for the command. You can use -echo screen as a
|
||||
|
|
|
@ -59,6 +59,30 @@ class PairPython : public Pair {
|
|||
|
||||
/* ERROR/WARNING messages:
|
||||
|
||||
E: Could not find 'compute_force' method'
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Python 'compute_force' is not callable
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Could not find 'compute_energy' method'
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Python 'compute_energy' is not callable
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Could not create tuple for 'compute' function arguments
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Calling 'compute_force' function failed
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Illegal ... command
|
||||
|
||||
Self-explanatory. Check the input script syntax and compare to the
|
||||
|
@ -69,7 +93,59 @@ E: Incorrect args for pair coefficients
|
|||
|
||||
Self-explanatory. Check the input script or data file.
|
||||
|
||||
E: Pair cutoff < Respa interior cutoff
|
||||
E: Python pair style requires fully qualified class name
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Loading python pair style module failure
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Could not find pair style class in module'
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Could not instantiate instance of pair style class'
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Could not find 'check_units' method'
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Python 'check_units' is not callable
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Could not create tuple for 'check_units' function arguments
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Calling 'check_units' function failed
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Could not find 'map_coeff' method'
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Python 'map_coeff' is not callable
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Could not create tuple for 'map_coeff' function arguments
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Calling 'map_coeff' function failed
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Calling 'compute_energy' function failed
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
U: Pair cutoff < Respa interior cutoff
|
||||
|
||||
One or more pairwise cutoffs are too short to use with the specified
|
||||
rRESPA cutoffs.
|
||||
|
|
|
@ -65,6 +65,10 @@ class PythonImpl : protected Pointers, public PythonInterface {
|
|||
|
||||
/* ERROR/WARNING messages:
|
||||
|
||||
E: Could not initialize embedded Python
|
||||
|
||||
The main module in Python was not accessible.
|
||||
|
||||
E: Invalid python command
|
||||
|
||||
Self-explanatory. Check the input script syntax and compare to the
|
||||
|
@ -80,14 +84,9 @@ E: Python variable does not match Python function
|
|||
This matching is defined by the python-style variable and the python
|
||||
command.
|
||||
|
||||
E: Cannot embed Python when also extending Python with LAMMPS
|
||||
E: Could not process Python source command
|
||||
|
||||
When running LAMMPS via Python through the LAMMPS library interface
|
||||
you cannot also user the input script python command.
|
||||
|
||||
E: Could not initialize embedded Python
|
||||
|
||||
The main module in Python was not accessible.
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Could not open Python file
|
||||
|
||||
|
@ -123,10 +122,23 @@ E: Could not evaluate Python function input variable
|
|||
|
||||
Self-explanatory.
|
||||
|
||||
E: Unsupported variable type
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Python function evaluation failed
|
||||
|
||||
The Python function did not run successfully and/or did not return a
|
||||
value (if it is supposed to return a value). This is probably due to
|
||||
some error condition in the function.
|
||||
|
||||
E: Python command length keyword cannot be used unless output is a string
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
U: 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.
|
||||
|
||||
*/
|
||||
|
|
|
@ -56,6 +56,10 @@ Self-explanatory. Check the input script syntax and compare to the
|
|||
documentation for the command. You can use -echo screen as a
|
||||
command-line option when running LAMMPS to see the offending line.
|
||||
|
||||
E: Cannot open gzipped file
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Cannot open fix reax/bonds file %s
|
||||
|
||||
The output file for the fix reax/bonds command cannot be opened.
|
||||
|
|
|
@ -97,9 +97,9 @@ class PairREAX : public Pair {
|
|||
|
||||
/* ERROR/WARNING messages:
|
||||
|
||||
W: pair style reax is now deprecated and will soon be retired. Users should switch to pair_style reax/c
|
||||
W: The pair_style reax command is unsupported. Please switch to pair_style reax/c instead
|
||||
|
||||
Self-explanatory.
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Reax_defs.h setting for NATDEF is too small
|
||||
|
||||
|
@ -147,4 +147,8 @@ E: Invalid REAX atom type
|
|||
There is a mis-match between LAMMPS atom types and the elements
|
||||
listed in the ReaxFF force field file.
|
||||
|
||||
U: pair style reax is now deprecated and will soon be retired. Users should switch to pair_style reax/c
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
*/
|
||||
|
|
|
@ -89,7 +89,15 @@ E: Potential energy ID for fix neb does not exist
|
|||
|
||||
Self-explanatory.
|
||||
|
||||
E: Atom count changed in fix neb
|
||||
E: Too many active NEB atoms
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Too many atoms for NEB
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
U: Atom count changed in fix neb
|
||||
|
||||
This is not allowed in a NEB calculation.
|
||||
|
||||
|
|
|
@ -82,14 +82,6 @@ E: Cannot use NEB with a single replica
|
|||
|
||||
Self-explanatory.
|
||||
|
||||
E: Can only use NEB with 1-processor replicas
|
||||
|
||||
This is current restriction for NEB as implemented in LAMMPS.
|
||||
|
||||
E: Cannot use NEB with atom_modify sort enabled
|
||||
|
||||
This is current restriction for NEB implemented in LAMMPS.
|
||||
|
||||
E: Cannot use NEB unless atom map exists
|
||||
|
||||
Use the atom_modify command to create an atom map.
|
||||
|
@ -134,4 +126,12 @@ The specified file cannot be opened. Check that the path and name are
|
|||
correct. If the file is a compressed file, also check that the gzip
|
||||
executable can be found and run.
|
||||
|
||||
U: Can only use NEB with 1-processor replicas
|
||||
|
||||
This is current restriction for NEB as implemented in LAMMPS.
|
||||
|
||||
U: Cannot use NEB with atom_modify sort enabled
|
||||
|
||||
This is current restriction for NEB implemented in LAMMPS.
|
||||
|
||||
*/
|
||||
|
|
|
@ -136,14 +136,14 @@ E: Cannot use PRD with a time-dependent region defined
|
|||
|
||||
PRD alters the timestep in ways that will mess up these regions.
|
||||
|
||||
E: Cannot use PRD with atom_modify sort enabled
|
||||
|
||||
This is a current restriction of PRD. You must turn off sorting,
|
||||
which is enabled by default, via the atom_modify command.
|
||||
|
||||
E: Too many iterations
|
||||
|
||||
You must use a number of iterations that fit in a 32-bit integer
|
||||
for minimization.
|
||||
|
||||
U: Cannot use PRD with atom_modify sort enabled
|
||||
|
||||
This is a current restriction of PRD. You must turn off sorting,
|
||||
which is enabled by default, via the atom_modify command.
|
||||
|
||||
*/
|
||||
|
|
|
@ -80,6 +80,10 @@ E: Tempering fix ID is not defined
|
|||
|
||||
The fix ID specified by the temper command does not exist.
|
||||
|
||||
E: Illegal temperature index
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Invalid frequency in temper command
|
||||
|
||||
Nevery must be > 0.
|
||||
|
@ -89,10 +93,9 @@ E: Non integer # of swaps in temper command
|
|||
Swap frequency in temper command must evenly divide the total # of
|
||||
timesteps.
|
||||
|
||||
E: Tempering temperature fix is not valid
|
||||
E: Tempering temperature fix is not supported
|
||||
|
||||
The fix specified by the temper command is not one that controls
|
||||
temperature (nvt or langevin).
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Too many timesteps
|
||||
|
||||
|
@ -103,4 +106,9 @@ E: Tempering could not find thermo_pe compute
|
|||
This compute is created by the thermo command. It must have been
|
||||
explicitly deleted by a uncompute command.
|
||||
|
||||
U: Tempering temperature fix is not valid
|
||||
|
||||
The fix specified by the temper command is not one that controls
|
||||
temperature (nvt or langevin).
|
||||
|
||||
*/
|
||||
|
|
|
@ -61,15 +61,27 @@ Self-explanatory. Check the input script syntax and compare to the
|
|||
documentation for the command. You can use -echo screen as a
|
||||
command-line option when running LAMMPS to see the offending line.
|
||||
|
||||
E: Compute bond/local used when bonds are not allowed
|
||||
E: Invalid keyword in compute rigid/local command
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: FixRigidSmall ID for compute rigid/local does not exist
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Compute rigid/local does not use fix rigid/small fix
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
U: Compute bond/local used when bonds are not allowed
|
||||
|
||||
The atom style does not support bonds.
|
||||
|
||||
E: Invalid keyword in compute bond/local command
|
||||
U: Invalid keyword in compute bond/local command
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
E: No bond style is defined for compute bond/local
|
||||
U: No bond style is defined for compute bond/local
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
|
|
|
@ -75,27 +75,25 @@ class FixEHEX : public Fix {
|
|||
|
||||
/* ERROR/WARNING messages:
|
||||
|
||||
E: Illegal fix ehex command: wrong number of parameters
|
||||
E: Illegal fix ehex command: wrong number of parameters
|
||||
|
||||
Self-explanatory. Check the input script syntax and compare to the
|
||||
documentation for the command. You can use -echo screen as a
|
||||
command-line option when running LAMMPS to see the offending line.
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Illegal fix ehex command: integer value expected
|
||||
E: Illegal ... command
|
||||
|
||||
Self-explanatory. Check the value for nevery.
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Region ID for fix ehex does not exist
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
E: You can only use the keyword 'com' together with the keyword 'constrain' .
|
||||
E: Illegal fix ehex keyword
|
||||
|
||||
Self-explanatory.
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Illegal fix ehex keyword
|
||||
E: You can only use the keyword 'com' together with the keyword 'constrain'
|
||||
|
||||
Self-explanatory.
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Fix ehex group has no atoms
|
||||
|
||||
|
@ -109,22 +107,48 @@ E: Fix ehex was configured with keyword constrain, but shake/rattle was not defi
|
|||
|
||||
The option constrain requires either fix shake or fix rattle which is missing in the input script.
|
||||
|
||||
E: Fix heat kinetic energy went negative
|
||||
E: Fix ehex kinetic energy went negative
|
||||
|
||||
This will cause the velocity rescaling about to be performed by fix
|
||||
heat to be invalid.
|
||||
|
||||
E: Fix heat kinetic energy of an atom went negative
|
||||
|
||||
This will cause the velocity rescaling about to be performed by fix
|
||||
heat to be invalid.
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Internal error: shake_flag[m] has to be between 1 and 4 for m in nlist
|
||||
|
||||
Contact developers.
|
||||
|
||||
E: Fix ehex shake cluster has almost zero mass.
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Fix ehex error mass of region is close to zero
|
||||
|
||||
Check your configuration.
|
||||
|
||||
U: Illegal fix ehex command: wrong number of parameters
|
||||
|
||||
Self-explanatory. Check the input script syntax and compare to the
|
||||
documentation for the command. You can use -echo screen as a
|
||||
command-line option when running LAMMPS to see the offending line.
|
||||
|
||||
U: Illegal fix ehex command: integer value expected
|
||||
|
||||
Self-explanatory. Check the value for nevery.
|
||||
|
||||
U: You can only use the keyword 'com' together with the keyword 'constrain' .
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
U: Illegal fix ehex keyword
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
U: Fix heat kinetic energy went negative
|
||||
|
||||
This will cause the velocity rescaling about to be performed by fix
|
||||
heat to be invalid.
|
||||
|
||||
U: Fix heat kinetic energy of an atom went negative
|
||||
|
||||
This will cause the velocity rescaling about to be performed by fix
|
||||
heat to be invalid.
|
||||
|
||||
*/
|
||||
|
|
|
@ -77,30 +77,49 @@ class FixRattle : public FixShake {
|
|||
#endif
|
||||
#endif
|
||||
|
||||
|
||||
/* ERROR/WARNING messages:
|
||||
|
||||
W: Fix rattle should come after all other integration fixes
|
||||
W: Fix rattle should come after all other integration fixes
|
||||
|
||||
This fix is designed to work after all other integration fixes change
|
||||
atom positions. Thus it should be the last integration fix specified.
|
||||
If not, it will not satisfy the desired constraints as well as it
|
||||
otherwise would.
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Rattle determinant = 0.0
|
||||
|
||||
The determinant of the matrix being solved for a single cluster
|
||||
specified by the fix rattle command is numerically invalid.
|
||||
|
||||
E: Rattle failed
|
||||
E: Rattle failed
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Coordinate constraints are not satisfied up to desired tolerance
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Velocity constraints are not satisfied up to desired tolerance
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Velocity constraints are not satisfied up to desired tolerance!
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
U: Fix rattle should come after all other integration fixes
|
||||
|
||||
This fix is designed to work after all other integration fixes change
|
||||
atom positions. Thus it should be the last integration fix specified.
|
||||
If not, it will not satisfy the desired constraints as well as it
|
||||
otherwise would.
|
||||
|
||||
U: Rattle failed
|
||||
|
||||
Certain constraints were not satisfied.
|
||||
|
||||
E: Coordinate constraints are not satisfied up to desired tolerance
|
||||
U: Coordinate constraints are not satisfied up to desired tolerance
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
E: Rattle velocity constraints are not satisfied up to desired tolerance
|
||||
U: Rattle velocity constraints are not satisfied up to desired tolerance
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
|
|
|
@ -161,6 +161,26 @@ Self-explanatory. Check the input script syntax and compare to the
|
|||
documentation for the command. You can use -echo screen as a
|
||||
command-line option when running LAMMPS to see the offending line.
|
||||
|
||||
E: Fix rigid custom requires previously defined property/atom
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Fix rigid custom requires integer-valued property/atom
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Variable name for fix rigid custom does not exist
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Fix rigid custom variable is no atom-style variable
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Unsupported fix rigid custom property
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Fix rigid molecule requires atom attribute molecule
|
||||
|
||||
Self-explanatory.
|
||||
|
|
|
@ -223,6 +223,26 @@ E: Fix rigid/small requires atom attribute molecule
|
|||
|
||||
Self-explanatory.
|
||||
|
||||
E: Fix rigid/small custom requires previously defined property/atom
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Fix rigid/small custom requires integer-valued property/atom
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Variable name for fix rigid/small custom does not exist
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Fix rigid/small custom variable is no atom-style variable
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Unsupported fix rigid custom property
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Fix rigid/small requires an atom map, see atom_modify
|
||||
|
||||
Self-explanatory.
|
||||
|
|
|
@ -149,6 +149,10 @@ E: Fix msst compute ID does not compute potential energy
|
|||
|
||||
Self-explanatory.
|
||||
|
||||
E: Fix msst dftb cannot be used w/out fix external
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Could not find fix_modify temperature ID
|
||||
|
||||
The compute ID for computing temperature does not exist.
|
||||
|
|
|
@ -66,12 +66,16 @@ E: Compute snad/atom requires a pair style be defined
|
|||
|
||||
Self-explanatory.
|
||||
|
||||
E: Compute snad/atom cutoff is longer than pairwise cutoff
|
||||
E: Compute sna/atom cutoff is longer than pairwise cutoff
|
||||
|
||||
Self-explanatory.
|
||||
UNDOCUMENTED
|
||||
|
||||
W: More than one compute snad/atom
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
U: Compute snad/atom cutoff is longer than pairwise cutoff
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
*/
|
||||
|
|
|
@ -137,6 +137,10 @@ E: Incorrect args for pair coefficients
|
|||
|
||||
Self-explanatory. Check the input script or data file.
|
||||
|
||||
E: Incorrect SNAP coeff file
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Incorrect SNAP parameter file
|
||||
|
||||
The file cannot be parsed correctly, check its internal syntax.
|
||||
|
|
|
@ -82,6 +82,14 @@ E: Illegal compute voronoi/atom command (occupation and (surface or edges))
|
|||
|
||||
Self-explanatory.
|
||||
|
||||
E: Compute voronoi/atom occupation requires an atom map, see atom_modify
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Compute voronoi/atom occupation requires atom IDs
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Variable name for voronoi radius does not exist
|
||||
|
||||
Self-explanatory.
|
||||
|
|
|
@ -54,6 +54,10 @@ class AngleZero : public Angle {
|
|||
|
||||
/* ERROR/WARNING messages:
|
||||
|
||||
E: Illegal ... command
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Incorrect args for angle coefficients
|
||||
|
||||
Self-explanatory. Check the input script or data file.
|
||||
|
|
50
src/atom.h
50
src/atom.h
|
@ -478,31 +478,6 @@ E: Invalid atom ID in Bodies section of data file
|
|||
Atom IDs must be positive integers and within range of defined
|
||||
atoms.
|
||||
|
||||
E: Cannot set mass for this atom style
|
||||
|
||||
This atom style does not support mass settings for each atom type.
|
||||
Instead they are defined on a per-atom basis in the data file.
|
||||
|
||||
E: Invalid mass line in data file
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
E: Invalid type for mass set
|
||||
|
||||
Mass command must set a type from 1-N where N is the number of atom
|
||||
types.
|
||||
|
||||
E: Invalid mass value
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
E: All masses are not set
|
||||
|
||||
For atom styles that define masses for each atom type, all masses must
|
||||
be set in the data file or by the mass command before running a
|
||||
simulation. They must also be set before using the velocity
|
||||
command.
|
||||
|
||||
E: Reuse of molecule template ID
|
||||
|
||||
The template IDs must be unique.
|
||||
|
@ -523,4 +498,29 @@ E: Too many atom sorting bins
|
|||
This is likely due to an immense simulation box that has blown up
|
||||
to a large size.
|
||||
|
||||
U: Cannot set mass for this atom style
|
||||
|
||||
This atom style does not support mass settings for each atom type.
|
||||
Instead they are defined on a per-atom basis in the data file.
|
||||
|
||||
U: Invalid mass line in data file
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
U: Invalid type for mass set
|
||||
|
||||
Mass command must set a type from 1-N where N is the number of atom
|
||||
types.
|
||||
|
||||
U: Invalid mass value
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
U: All masses are not set
|
||||
|
||||
For atom styles that define masses for each atom type, all masses must
|
||||
be set in the data file or by the mass command before running a
|
||||
simulation. They must also be set before using the velocity
|
||||
command.
|
||||
|
||||
*/
|
||||
|
|
|
@ -0,0 +1,20 @@
|
|||
/* -*- c++ -*- ----------------------------------------------------------
|
||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||
http://lammps.sandia.gov, Sandia National Laboratories
|
||||
Steve Plimpton, sjplimp@sandia.gov
|
||||
|
||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
|
||||
certain rights in this software. This software is distributed under
|
||||
the GNU General Public License.
|
||||
|
||||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
/* ERROR/WARNING messages:
|
||||
|
||||
E: Cannot create an atom map unless atoms have IDs
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
*/
|
|
@ -109,10 +109,6 @@ Self-explanatory. Check the input script syntax and compare to the
|
|||
documentation for the command. You can use -echo screen as a
|
||||
command-line option when running LAMMPS to see the offending line.
|
||||
|
||||
E: Cannot open balance output file
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
E: Cannot balance in z dimension for 2d simulation
|
||||
|
||||
Self-explanatory.
|
||||
|
@ -129,10 +125,22 @@ E: Lost atoms via balance: original %ld current %ld
|
|||
|
||||
This should not occur. Report the problem to the developers.
|
||||
|
||||
E: Unknown (fix) balance weight method
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Cannot open (fix) balance output file
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Balance produced bad splits
|
||||
|
||||
This should not occur. It means two or more cutting plane locations
|
||||
are on top of each other or out of order. Report the problem to the
|
||||
developers.
|
||||
|
||||
U: Cannot open balance output file
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
*/
|
||||
|
|
20
src/bond.h
20
src/bond.h
|
@ -84,4 +84,24 @@ E: 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.
|
||||
|
||||
E: Illegal ... command
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Invalid atom types in bond_write command
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Invalid rlo/rhi values in bond_write command
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Cannot open bond_write file
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Fix adapt interface to this bond style not supported
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
*/
|
||||
|
|
|
@ -54,6 +54,10 @@ class BondZero : public Bond {
|
|||
|
||||
/* ERROR/WARNING messages:
|
||||
|
||||
E: Illegal ... command
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Incorrect args for bond coefficients
|
||||
|
||||
Self-explanatory. Check the input script or data file.
|
||||
|
|
|
@ -117,6 +117,10 @@ This is because those fixes store the shape of the box. You need to
|
|||
use unfix to discard the fix, change the box, then redefine a new
|
||||
fix.
|
||||
|
||||
W: Attempting to remap atoms in rigid bodies
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
W: Lost atoms via change_box: original %ld current %ld
|
||||
|
||||
The command options you have used caused atoms to be lost.
|
||||
|
|
14
src/comm.h
14
src/comm.h
|
@ -145,11 +145,6 @@ class Comm : protected Pointers {
|
|||
|
||||
/* ERROR/WARNING messages:
|
||||
|
||||
W: OMP_NUM_THREADS environment is not set.
|
||||
|
||||
This environment variable must be set appropriately to use the
|
||||
USER-OMP package.
|
||||
|
||||
E: Illegal ... command
|
||||
|
||||
Self-explanatory. Check the input script syntax and compare to the
|
||||
|
@ -220,4 +215,13 @@ E: Processor count in z must be 1 for 2d simulation
|
|||
|
||||
Self-explanatory.
|
||||
|
||||
E: Cannot put data on ring from NULL pointer
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
U: OMP_NUM_THREADS environment is not set.
|
||||
|
||||
This environment variable must be set appropriately to use the
|
||||
USER-OMP package.
|
||||
|
||||
*/
|
||||
|
|
|
@ -155,10 +155,6 @@ class CommTiled : public Comm {
|
|||
|
||||
/* ERROR/WARNING messages:
|
||||
|
||||
E: KOKKOS package does not yet support comm_style tiled
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
E: Cannot yet use comm_style tiled with triclinic box
|
||||
|
||||
Self-explanatory.
|
||||
|
@ -171,6 +167,10 @@ E: Communication cutoff for comm_style tiled cannot exceed periodic box length
|
|||
|
||||
Self-explanatory.
|
||||
|
||||
E: Reverse comm fix variable not yet supported by CommTiled
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Comm tiled mis-match in box drop brick
|
||||
|
||||
Internal error check in comm_style tiled which should not occur.
|
||||
|
@ -181,4 +181,8 @@ E: Comm tiled invalid index in box drop brick
|
|||
Internal error check in comm_style tiled which should not occur.
|
||||
Contact the developers.
|
||||
|
||||
U: KOKKOS package does not yet support comm_style tiled
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
*/
|
||||
|
|
|
@ -57,6 +57,10 @@ Self-explanatory. Check the input script syntax and compare to the
|
|||
documentation for the command. You can use -echo screen as a
|
||||
command-line option when running LAMMPS to see the offending line.
|
||||
|
||||
E: Compute aggregate/atom used when bonds are not allowed
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Cannot use compute aggregate/atom unless atoms have IDs
|
||||
|
||||
Atom IDs are used to identify aggregates.
|
||||
|
@ -65,6 +69,14 @@ E: Compute aggregate/atom requires a bond style to be defined
|
|||
|
||||
This is so that a bond list is generated which is used to find aggregates.
|
||||
|
||||
E: Compute cluster/atom requires a pair style to be defined
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Compute cluster/atom cutoff is longer than pairwise cutoff
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
W: More than one compute aggregate/atom
|
||||
|
||||
It is not efficient to use compute aggregate/atom more than once.
|
||||
|
|
|
@ -50,13 +50,13 @@ Self-explanatory. Check the input script syntax and compare to the
|
|||
documentation for the command. You can use -echo screen as a
|
||||
command-line option when running LAMMPS to see the offending line.
|
||||
|
||||
E: Compute bond must use group all
|
||||
E: Angle style for compute angle command is not hybrid
|
||||
|
||||
Bond styles accumulate energy on all atoms.
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Unrecognized bond style in compute bond command
|
||||
E: Angle style for compute angle command has changed
|
||||
|
||||
Self-explanatory.
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Energy was not tallied on needed timestep
|
||||
|
||||
|
@ -64,4 +64,12 @@ You are using a thermo keyword that requires potentials to
|
|||
have tallied energy, but they didn't on this timestep. See the
|
||||
variable doc page for ideas on how to make this work.
|
||||
|
||||
U: Compute bond must use group all
|
||||
|
||||
Bond styles accumulate energy on all atoms.
|
||||
|
||||
U: Unrecognized bond style in compute bond command
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
*/
|
||||
|
|
|
@ -50,13 +50,13 @@ Self-explanatory. Check the input script syntax and compare to the
|
|||
documentation for the command. You can use -echo screen as a
|
||||
command-line option when running LAMMPS to see the offending line.
|
||||
|
||||
E: Compute bond must use group all
|
||||
E: Bond style for compute bond command is not hybrid
|
||||
|
||||
Bond styles accumulate energy on all atoms.
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Unrecognized bond style in compute bond command
|
||||
E: Bond style for compute bond command has changed
|
||||
|
||||
Self-explanatory.
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Energy was not tallied on needed timestep
|
||||
|
||||
|
@ -64,4 +64,12 @@ You are using a thermo keyword that requires potentials to
|
|||
have tallied energy, but they didn't on this timestep. See the
|
||||
variable doc page for ideas on how to make this work.
|
||||
|
||||
U: Compute bond must use group all
|
||||
|
||||
Bond styles accumulate energy on all atoms.
|
||||
|
||||
U: Unrecognized bond style in compute bond command
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
*/
|
||||
|
|
|
@ -73,4 +73,8 @@ E: No bond style is defined for compute bond/local
|
|||
|
||||
Self-explanatory.
|
||||
|
||||
E: Sanity check on 3 energy components failed
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
*/
|
||||
|
|
|
@ -58,6 +58,18 @@ Self-explanatory. Check the input script syntax and compare to the
|
|||
documentation for the command. You can use -echo screen as a
|
||||
command-line option when running LAMMPS to see the offending line.
|
||||
|
||||
E: Illegal compute centro/atom command3
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Illegal compute centro/atom command2
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Illegal compute centro/atom command1
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Compute centro/atom requires a pair style be defined
|
||||
|
||||
This is because the computation of the centro-symmetry values
|
||||
|
|
|
@ -225,11 +225,9 @@ E: Compute chunk/atom ids once but nchunk is not once
|
|||
You cannot assign chunks IDs to atom permanently if the number of
|
||||
chunks may change.
|
||||
|
||||
E: Two fix ave commands using same compute chunk/atom command in incompatible ways
|
||||
E: Two fix commands using same compute chunk/atom command in incompatible ways
|
||||
|
||||
They are both attempting to "lock" the chunk/atom command so that the
|
||||
chunk assignments persist for some number of timesteps, but are doing
|
||||
it in different ways.
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Fix used in compute chunk/atom not computed at compatible time
|
||||
|
||||
|
@ -256,4 +254,10 @@ E: Cannot use compute chunk/atom bin z for 2d model
|
|||
|
||||
Self-explanatory.
|
||||
|
||||
U: Two fix ave commands using same compute chunk/atom command in incompatible ways
|
||||
|
||||
They are both attempting to "lock" the chunk/atom command so that the
|
||||
chunk assignments persist for some number of timesteps, but are doing
|
||||
it in different ways.
|
||||
|
||||
*/
|
||||
|
|
|
@ -65,6 +65,26 @@ Self-explanatory. Check the input script syntax and compare to the
|
|||
documentation for the command. You can use -echo screen as a
|
||||
command-line option when running LAMMPS to see the offending line.
|
||||
|
||||
E: Could not find compute coord/atom compute ID
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Compute coord/atom compute ID is not orientorder/atom
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Compute coord/atom threshold not between -1 and 1
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Invalid cstyle in compute coord/atom
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Compute coord/atom requires components option in compute orientorder/atom
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Compute coord/atom requires a pair style be defined
|
||||
|
||||
Self-explanatory.
|
||||
|
|
|
@ -50,13 +50,13 @@ Self-explanatory. Check the input script syntax and compare to the
|
|||
documentation for the command. You can use -echo screen as a
|
||||
command-line option when running LAMMPS to see the offending line.
|
||||
|
||||
E: Compute bond must use group all
|
||||
E: Dihedral style for compute dihedral command is not hybrid
|
||||
|
||||
Bond styles accumulate energy on all atoms.
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Unrecognized bond style in compute bond command
|
||||
E: Dihedral style for compute dihedral command has changed
|
||||
|
||||
Self-explanatory.
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Energy was not tallied on needed timestep
|
||||
|
||||
|
@ -64,4 +64,12 @@ You are using a thermo keyword that requires potentials to
|
|||
have tallied energy, but they didn't on this timestep. See the
|
||||
variable doc page for ideas on how to make this work.
|
||||
|
||||
U: Compute bond must use group all
|
||||
|
||||
Bond styles accumulate energy on all atoms.
|
||||
|
||||
U: Unrecognized bond style in compute bond command
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
*/
|
||||
|
|
|
@ -58,6 +58,14 @@ Self-explanatory. Check the input script syntax and compare to the
|
|||
documentation for the command. You can use -echo screen as a
|
||||
command-line option when running LAMMPS to see the offending line.
|
||||
|
||||
E: Variable name for compute displace/atom does not exist
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Compute displace/atom variable is not atom-style variable
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Could not find compute displace/atom fix ID
|
||||
|
||||
Self-explanatory.
|
||||
|
|
|
@ -54,6 +54,10 @@ Self-explanatory. Check the input script syntax and compare to the
|
|||
documentation for the command. You can use -echo screen as a
|
||||
command-line option when running LAMMPS to see the offending line.
|
||||
|
||||
E: Compute fragment/atom used when bonds are not allowed
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Cannot use compute fragment/atom unless atoms have IDs
|
||||
|
||||
Atom IDs are used to identify fragments.
|
||||
|
|
|
@ -59,83 +59,155 @@ Self-explanatory. Check the input script syntax and compare to the
|
|||
documentation for the command. You can use -echo screen as a
|
||||
command-line option when running LAMMPS to see the offending line.
|
||||
|
||||
E: Region ID for compute reduce/region does not exist
|
||||
E: Compute ID for compute global/atom does not exist
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Compute global/atom compute does not calculate a per-atom vector or array
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Compute global/atom compute does not calculate a per-atom vector
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Compute global/atom compute does not calculate a per-atom array
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Compute global/atom compute array is accessed out-of-range
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Fix ID for compute global/atom does not exist
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Compute global/atom fix does not calculate a per-atom vector or array
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Compute global/atom fix does not calculate a per-atom vector
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Compute global/atom fix does not calculate a per-atom array
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Compute global/atom fix array is accessed out-of-range
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Variable name for compute global/atom does not exist
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Compute global/atom variable is not atom-style variable
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Compute global/atom compute does not calculate a global vector
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Compute global/atom compute does not calculate a global array
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Compute global/atom fix does not calculate a global vector
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Compute global/atom fix does not calculate a global array
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Compute global/atom variable is not vector-style variable
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Fix used in compute global/atom not computed at compatible time
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
U: Region ID for compute reduce/region does not exist
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
E: Compute reduce replace requires min or max mode
|
||||
U: Compute reduce replace requires min or max mode
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
E: Invalid replace values in compute reduce
|
||||
U: Invalid replace values in compute reduce
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
E: Compute ID for compute reduce does not exist
|
||||
U: Compute ID for compute reduce does not exist
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
E: Compute reduce compute does not calculate a per-atom vector
|
||||
U: Compute reduce compute does not calculate a per-atom vector
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
E: Compute reduce compute does not calculate a per-atom array
|
||||
U: Compute reduce compute does not calculate a per-atom array
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
E: Compute reduce compute array is accessed out-of-range
|
||||
U: Compute reduce compute array is accessed out-of-range
|
||||
|
||||
An index for the array is out of bounds.
|
||||
|
||||
E: Compute reduce compute does not calculate a local vector
|
||||
U: Compute reduce compute does not calculate a local vector
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
E: Compute reduce compute does not calculate a local array
|
||||
U: Compute reduce compute does not calculate a local array
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
E: Compute reduce compute calculates global values
|
||||
U: Compute reduce compute calculates global values
|
||||
|
||||
A compute that calculates peratom or local values is required.
|
||||
|
||||
E: Fix ID for compute reduce does not exist
|
||||
U: Fix ID for compute reduce does not exist
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
E: Compute reduce fix does not calculate a per-atom vector
|
||||
U: Compute reduce fix does not calculate a per-atom vector
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
E: Compute reduce fix does not calculate a per-atom array
|
||||
U: Compute reduce fix does not calculate a per-atom array
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
E: Compute reduce fix array is accessed out-of-range
|
||||
U: Compute reduce fix array is accessed out-of-range
|
||||
|
||||
An index for the array is out of bounds.
|
||||
|
||||
E: Compute reduce fix does not calculate a local vector
|
||||
U: Compute reduce fix does not calculate a local vector
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
E: Compute reduce fix does not calculate a local array
|
||||
U: Compute reduce fix does not calculate a local array
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
E: Compute reduce fix calculates global values
|
||||
U: Compute reduce fix calculates global values
|
||||
|
||||
A fix that calculates peratom or local values is required.
|
||||
|
||||
E: Variable name for compute reduce does not exist
|
||||
U: Variable name for compute reduce does not exist
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
E: Compute reduce variable is not atom-style variable
|
||||
U: Compute reduce variable is not atom-style variable
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
E: Fix used in compute reduce not computed at compatible time
|
||||
U: Fix used in compute reduce not computed at compatible time
|
||||
|
||||
Fixes generate their values on specific timesteps. Compute reduce is
|
||||
requesting a value on a non-allowed timestep.
|
||||
|
|
|
@ -65,6 +65,10 @@ E: Compute group/group group ID does not exist
|
|||
|
||||
Self-explanatory.
|
||||
|
||||
E: Compute group/group molecule requires molecule IDs
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: No pair style defined for compute group/group
|
||||
|
||||
Cannot calculate group interactions without a pair style defined.
|
||||
|
|
|
@ -50,13 +50,13 @@ Self-explanatory. Check the input script syntax and compare to the
|
|||
documentation for the command. You can use -echo screen as a
|
||||
command-line option when running LAMMPS to see the offending line.
|
||||
|
||||
E: Compute bond must use group all
|
||||
E: Improper style for compute improper command is not hybrid
|
||||
|
||||
Bond styles accumulate energy on all atoms.
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Unrecognized bond style in compute bond command
|
||||
E: Improper style for compute improper command has changed
|
||||
|
||||
Self-explanatory.
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Energy was not tallied on needed timestep
|
||||
|
||||
|
@ -64,4 +64,12 @@ You are using a thermo keyword that requires potentials to
|
|||
have tallied energy, but they didn't on this timestep. See the
|
||||
variable doc page for ideas on how to make this work.
|
||||
|
||||
U: Compute bond must use group all
|
||||
|
||||
Bond styles accumulate energy on all atoms.
|
||||
|
||||
U: Unrecognized bond style in compute bond command
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
*/
|
||||
|
|
|
@ -74,4 +74,8 @@ E: Compute omega/chunk does not use chunk/atom compute
|
|||
|
||||
The style of the specified compute is not chunk/atom.
|
||||
|
||||
E: Insufficient Jacobi rotations for omega/chunk
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
*/
|
||||
|
|
|
@ -52,10 +52,6 @@ Self-explanatory. Check the input script syntax and compare to the
|
|||
documentation for the command. You can use -echo screen as a
|
||||
command-line option when running LAMMPS to see the offending line.
|
||||
|
||||
E: Compute pair must use group all
|
||||
|
||||
Pair styles accumulate energy on all atoms.
|
||||
|
||||
E: Unrecognized pair style in compute pair command
|
||||
|
||||
Self-explanatory.
|
||||
|
@ -66,4 +62,8 @@ You are using a thermo keyword that requires potentials to
|
|||
have tallied energy, but they didn't on this timestep. See the
|
||||
variable doc page for ideas on how to make this work.
|
||||
|
||||
U: Compute pair must use group all
|
||||
|
||||
Pair styles accumulate energy on all atoms.
|
||||
|
||||
*/
|
||||
|
|
|
@ -67,6 +67,10 @@ E: Invalid keyword in compute pair/local command
|
|||
|
||||
Self-explanatory.
|
||||
|
||||
E: Compute pair/local requires atom attribute radius
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: No pair style is defined for compute pair/local
|
||||
|
||||
Self-explanatory.
|
||||
|
|
|
@ -101,10 +101,6 @@ E: Compute property/local cannot use these inputs together
|
|||
Only inputs that generate the same number of datums can be used
|
||||
together. E.g. bond and angle quantities cannot be mixed.
|
||||
|
||||
E: Invalid keyword in compute property/local command
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
E: Compute property/local does not (yet) work with atom_style template
|
||||
|
||||
Self-explanatory.
|
||||
|
@ -113,6 +109,10 @@ E: Compute property/local for property that isn't allocated
|
|||
|
||||
Self-explanatory.
|
||||
|
||||
E: Compute property/local requires atom attribute radius
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: No pair style is defined for compute property/local
|
||||
|
||||
Self-explanatory.
|
||||
|
@ -122,4 +122,8 @@ E: Pair style does not support compute property/local
|
|||
The pair style does not have a single() function, so it can
|
||||
not be invoked by fix bond/swap.
|
||||
|
||||
U: Invalid keyword in compute property/local command
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
*/
|
||||
|
|
|
@ -68,7 +68,19 @@ Self-explanatory. Check the input script syntax and compare to the
|
|||
documentation for the command. You can use -echo screen as a
|
||||
command-line option when running LAMMPS to see the offending line.
|
||||
|
||||
E: Compute rdf requires a pair style be defined
|
||||
E: Compute rdf requires a pair style be defined or cutoff specified
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Compure rdf cutoff exceeds ghost atom range - use comm_modify cutoff command
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
W: Compute rdf cutoff less than neighbor cutoff - forcing a needless neighbor list build
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
U: Compute rdf requires a pair style be defined
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
|
|
|
@ -102,9 +102,25 @@ E: Compute slice fix does not calculate global vector or array
|
|||
|
||||
Self-explanatory.
|
||||
|
||||
E: Variable name for compute slice does not exist
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Compute slice variable is not vector-style variable
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Compute slice vector variable cannot be indexed
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Fix used in compute slice not computed at compatible time
|
||||
|
||||
Fixes generate their values on specific timesteps. Compute slice is
|
||||
requesting a value on a non-allowed timestep.
|
||||
|
||||
E: Compute slice variable is not long enough
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
*/
|
||||
|
|
|
@ -75,6 +75,18 @@ E: Invalid bond type in create_bonds command
|
|||
|
||||
Self-explanatory.
|
||||
|
||||
E: Cannot use special no with create_bonds many
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Invalid angle type in create_bonds command
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Invalid dihedral type in create_bonds command
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Create_bonds requires a pair style be defined
|
||||
|
||||
Self-explanatory.
|
||||
|
@ -103,4 +115,24 @@ E: New bond exceeded bonds per atom in create_bonds
|
|||
See the read_data command for info on setting the "extra bond per
|
||||
atom" header value to allow for additional bonds to be formed.
|
||||
|
||||
E: Create_bonds single/bond atoms do not exist
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Create_bonds single/angle atoms do not exist
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: New angle exceeded angles per atom in create_bonds
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Create_bonds single/dihedral atoms do not exist
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: New dihedral exceeded dihedrals per atom in create_bonds
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
*/
|
||||
|
|
|
@ -78,6 +78,14 @@ E: Cannot use delete_atoms unless atoms have IDs
|
|||
Your atoms do not have IDs, so the delete_atoms command cannot be
|
||||
used.
|
||||
|
||||
W: Attempting to delete atoms in rigid bodies
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
W: Ignoring 'compress yes' for molecular system
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Could not find delete_atoms group ID
|
||||
|
||||
Group ID used in the delete_atoms command does not exist.
|
||||
|
|
|
@ -52,3 +52,14 @@ class DihedralZero : public Dihedral {
|
|||
#endif
|
||||
#endif
|
||||
|
||||
/* ERROR/WARNING messages:
|
||||
|
||||
E: Illegal ... command
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Incorrect args for dihedral coefficients
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
*/
|
||||
|
|
|
@ -67,6 +67,10 @@ E: Could not find displace_atoms group ID
|
|||
|
||||
Group ID used in the displace_atoms command does not exist.
|
||||
|
||||
W: Attempting to displace atoms in rigid bodies
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Invalid displace_atoms rotate axis for 2d
|
||||
|
||||
Axis must be in z direction.
|
||||
|
|
14
src/domain.h
14
src/domain.h
|
@ -172,10 +172,9 @@ class Domain : protected Pointers {
|
|||
|
||||
/* ERROR/WARNING messages:
|
||||
|
||||
E: Box bounds are invalid
|
||||
E: Box bounds are invalid or missing
|
||||
|
||||
The box boundaries specified in the read_data file are invalid. The
|
||||
lo value must be less than the hi value for all 3 dimensions.
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Cannot skew triclinic box in z for 2d simulation
|
||||
|
||||
|
@ -200,6 +199,10 @@ E: Illegal simulation box
|
|||
|
||||
The lower bound of the simulation box is greater than the upper bound.
|
||||
|
||||
E: Non-numeric atom coords - simulation unstable
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Bond atom missing in image check
|
||||
|
||||
The 2nd atom in a particular bond is missing on this processor.
|
||||
|
@ -279,4 +282,9 @@ E: Both sides of boundary must be periodic
|
|||
Cannot specify a boundary as periodic only on the lo or hi side. Must
|
||||
be periodic on both sides.
|
||||
|
||||
U: Box bounds are invalid
|
||||
|
||||
The box boundaries specified in the read_data file are invalid. The
|
||||
lo value must be less than the hi value for all 3 dimensions.
|
||||
|
||||
*/
|
||||
|
|
|
@ -180,6 +180,10 @@ E: Too many atoms to dump sort
|
|||
|
||||
Cannot sort when running with more than 2^31 atoms.
|
||||
|
||||
E: Dump could not find refresh compute ID
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Too much per-proc info for dump
|
||||
|
||||
Number of local atoms times number of columns must fit in a 32-bit
|
||||
|
|
|
@ -62,12 +62,12 @@ E: Dump cfg arguments can not mix xs|ys|zs with xsu|ysu|zsu
|
|||
|
||||
Self-explanatory.
|
||||
|
||||
E: Invalid keyword in dump cfg command
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
E: Dump cfg requires one snapshot per file
|
||||
|
||||
Use the wildcard "*" character in the filename.
|
||||
|
||||
U: Invalid keyword in dump cfg command
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
*/
|
||||
|
|
|
@ -204,14 +204,19 @@ E: No dump custom arguments specified
|
|||
The dump custom command requires that atom quantities be specified to
|
||||
output to dump file.
|
||||
|
||||
E: Illegal ... command
|
||||
|
||||
Self-explanatory. Check the input script syntax and compare to the
|
||||
documentation for the command. You can use -echo screen as a
|
||||
command-line option when running LAMMPS to see the offending line.
|
||||
|
||||
E: Invalid attribute in dump custom command
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
E: Dump_modify format string is too short
|
||||
E: Dump_modify format line is too short
|
||||
|
||||
There are more fields to be dumped in a line of output than your
|
||||
format string specifies.
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Could not find dump custom compute ID
|
||||
|
||||
|
@ -298,19 +303,21 @@ E: Custom per-atom property ID is not integer
|
|||
|
||||
Self-explanatory.
|
||||
|
||||
E: Illegal ... command
|
||||
|
||||
Self-explanatory. Check the input script syntax and compare to the
|
||||
documentation for the command. You can use -echo screen as a
|
||||
command-line option when running LAMMPS to see the offending line.
|
||||
|
||||
E: Dump_modify region ID does not exist
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
E: Dump modify element names do not match atom types
|
||||
E: Dump_modify int format does not contain d character
|
||||
|
||||
Number of element names must equal number of atom types.
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Dump_modify element names do not match atom types
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Dump modify can only have one refresh
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Invalid attribute in dump modify command
|
||||
|
||||
|
@ -372,7 +379,24 @@ E: Could not find dump modify custom atom integer property ID
|
|||
|
||||
Self-explanatory.
|
||||
|
||||
E: Invalid dump_modify threshold operator
|
||||
E: Invalid dump_modify thresh attribute
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Invalid dump_modify thresh operator
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
U: Dump_modify format string is too short
|
||||
|
||||
There are more fields to be dumped in a line of output than your
|
||||
format string specifies.
|
||||
|
||||
U: Dump modify element names do not match atom types
|
||||
|
||||
Number of element names must equal number of atom types.
|
||||
|
||||
U: Invalid dump_modify threshold operator
|
||||
|
||||
Operator keyword used for threshold specification in not recognized.
|
||||
|
||||
|
|
|
@ -152,6 +152,10 @@ E: Dump image body yes requires atom style body
|
|||
|
||||
Self-explanatory.
|
||||
|
||||
E: Fix ID for dump image does not exist
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Dump image requires one snapshot per file
|
||||
|
||||
Use a "*" in the filename.
|
||||
|
|
|
@ -91,10 +91,24 @@ E: No dump local arguments specified
|
|||
|
||||
Self-explanatory.
|
||||
|
||||
E: Illegal ... command
|
||||
|
||||
Self-explanatory. Check the input script syntax and compare to the
|
||||
documentation for the command. You can use -echo screen as a
|
||||
command-line option when running LAMMPS to see the offending line.
|
||||
|
||||
E: Binary files are not supported with dump local
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Dump local cannot sort by atom ID
|
||||
|
||||
This is because dump local does not really dump per-atom info.
|
||||
|
||||
E: Dump_modify format line is too short
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Could not find dump local compute ID
|
||||
|
||||
Self-explanatory.
|
||||
|
@ -108,12 +122,6 @@ E: Dump local and fix not computed at compatible times
|
|||
The fix must produce per-atom quantities on timesteps that dump local
|
||||
needs them.
|
||||
|
||||
E: Illegal ... command
|
||||
|
||||
Self-explanatory. Check the input script syntax and compare to the
|
||||
documentation for the command. You can use -echo screen as a
|
||||
command-line option when running LAMMPS to see the offending line.
|
||||
|
||||
E: Compute used in dump between runs is not current
|
||||
|
||||
The compute was not invoked on the current timestep, therefore it
|
||||
|
|
Some files were not shown because too many files have changed in this diff Show More
Loading…
Reference in New Issue