diff --git a/src/DIPOLE/pair_lj_long_dipole_long.h b/src/DIPOLE/pair_lj_long_dipole_long.h index 2ace9ca301..365ca3cf51 100644 --- a/src/DIPOLE/pair_lj_long_dipole_long.h +++ b/src/DIPOLE/pair_lj_long_dipole_long.h @@ -113,13 +113,13 @@ E: Pair style requires use of kspace_style ewald/disp Self-explanatory. -E: Pair style lj/long/dipole/long does not currently support respa - -This feature is not yet supported. - E: Pair cutoff < Respa interior cutoff One or more pairwise cutoffs are too short to use with the specified rRESPA cutoffs. +U: Pair style lj/long/dipole/long does not currently support respa + +This feature is not yet supported. + */ diff --git a/src/GPU/fix_gpu.h b/src/GPU/fix_gpu.h index 613af16109..7a3807828a 100644 --- a/src/GPU/fix_gpu.h +++ b/src/GPU/fix_gpu.h @@ -50,11 +50,6 @@ class FixGPU : public Fix { /* ERROR/WARNING messages: -E: Cannot use GPU package with USER-CUDA package enabled - -You cannot use both the GPU and USER-CUDA packages -together. Use one or the other. - E: Illegal ... command Self-explanatory. Check the input script syntax and compare to the @@ -91,4 +86,9 @@ E: Cannot use neigh_modify exclude with GPU neighbor builds This is a current limitation of the GPU implementation in LAMMPS. +U: Cannot use GPU package with USER-CUDA package enabled + +You cannot use both the GPU and USER-CUDA packages +together. Use one or the other. + */ diff --git a/src/GPU/pair_tersoff_mod_gpu.h b/src/GPU/pair_tersoff_mod_gpu.h index 3967e90a70..b3564afada 100644 --- a/src/GPU/pair_tersoff_mod_gpu.h +++ b/src/GPU/pair_tersoff_mod_gpu.h @@ -54,14 +54,21 @@ E: Insufficient memory on accelerator There is insufficient memory on one of the devices specified for the gpu package -E: Pair style tersoff/gpu requires newton pair off +E: Pair style tersoff/mod/gpu requires atom IDs -See the newton command. This is a restriction to use this pair style. +UNDOCUMENTED + +E: Pair style tersoff/mod/gpu requires newton pair off + +UNDOCUMENTED E: 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. -*/ +U: Pair style tersoff/gpu requires newton pair off +See the newton command. This is a restriction to use this pair style. + +*/ diff --git a/src/GPU/pair_tersoff_zbl_gpu.h b/src/GPU/pair_tersoff_zbl_gpu.h index ba923ffd2f..6ee387aec4 100644 --- a/src/GPU/pair_tersoff_zbl_gpu.h +++ b/src/GPU/pair_tersoff_zbl_gpu.h @@ -54,14 +54,21 @@ E: Insufficient memory on accelerator There is insufficient memory on one of the devices specified for the gpu package -E: Pair style tersoff/gpu requires newton pair off +E: Pair style tersoff/zbl/gpu requires atom IDs -See the newton command. This is a restriction to use this pair style. +UNDOCUMENTED + +E: Pair style tersoff/zbl/gpu requires newton pair off + +UNDOCUMENTED E: 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. -*/ +U: Pair style tersoff/gpu requires newton pair off +See the newton command. This is a restriction to use this pair style. + +*/ diff --git a/src/GPU/pppm_gpu.h b/src/GPU/pppm_gpu.h index b37358e091..5f2ec96231 100644 --- a/src/GPU/pppm_gpu.h +++ b/src/GPU/pppm_gpu.h @@ -102,4 +102,12 @@ outside a processor's sub-domain or even the entire simulation box. This indicates bad physics, e.g. due to highly overlapping atoms, too large a timestep, etc. +E: Cannot (yet) use K-space slab correction with compute group/group for triclinic systems + +UNDOCUMENTED + +E: Cannot (yet) use kspace_modify diff ad with compute group/group + +UNDOCUMENTED + */ diff --git a/src/GRANULAR/fix_wall_gran.h b/src/GRANULAR/fix_wall_gran.h index e9b6a73b9d..2403a31907 100644 --- a/src/GRANULAR/fix_wall_gran.h +++ b/src/GRANULAR/fix_wall_gran.h @@ -101,6 +101,10 @@ E: Fix wall/gran requires atom style sphere Self-explanatory. +E: Invalid fix wall/gran interaction style + +UNDOCUMENTED + E: Cannot use wall in periodic dimension Self-explanatory. @@ -117,7 +121,11 @@ E: Invalid shear direction for fix wall/gran Self-explanatory. -E: Fix wall/gran is incompatible with Pair style +E: Cannot wiggle or shear with fix wall/gran/region + +UNDOCUMENTED + +U: Fix wall/gran is incompatible with Pair style Must use a granular pair style to define the parameters needed for this fix. diff --git a/src/GRANULAR/fix_wall_gran_region.h b/src/GRANULAR/fix_wall_gran_region.h index 9c96eeb722..8d1b6d533a 100644 --- a/src/GRANULAR/fix_wall_gran_region.h +++ b/src/GRANULAR/fix_wall_gran_region.h @@ -71,33 +71,49 @@ class FixWallGranRegion : public FixWallGran { /* ERROR/WARNING messages: -E: Illegal ... command +E: Region ID for fix wall/gran/region does not exist + +UNDOCUMENTED + +W: Region properties for region %s changed between runs, resetting its motion + +UNDOCUMENTED + +W: Region properties for region %s are inconsistent with restart file, resetting its motion + +UNDOCUMENTED + +E: Too many wall/gran/region contacts for one particle + +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 command-line option when running LAMMPS to see the offending line. -E: Fix wall/gran requires atom style sphere +U: Fix wall/gran requires atom style sphere Self-explanatory. -E: Cannot use wall in periodic dimension +U: Cannot use wall in periodic dimension Self-explanatory. -E: Cannot wiggle and shear fix wall/gran +U: Cannot wiggle and shear fix wall/gran Cannot specify both options at the same time. -E: Invalid wiggle direction for fix wall/gran +U: Invalid wiggle direction for fix wall/gran Self-explanatory. -E: Invalid shear direction for fix wall/gran +U: Invalid shear direction for fix wall/gran Self-explanatory. -E: Fix wall/gran is incompatible with Pair style +U: Fix wall/gran is incompatible with Pair style Must use a granular pair style to define the parameters needed for this fix. diff --git a/src/GRANULAR/pair_gran_hooke_history.h b/src/GRANULAR/pair_gran_hooke_history.h index f02cccd55e..3ca5c73116 100644 --- a/src/GRANULAR/pair_gran_hooke_history.h +++ b/src/GRANULAR/pair_gran_hooke_history.h @@ -90,12 +90,16 @@ E: Pair granular requires ghost atoms store velocity Use the comm_modify vel yes command to enable this. -E: Pair granular with shear history requires newton pair off +E: Could not find pair fix neigh history ID + +UNDOCUMENTED + +U: Pair granular with shear history requires newton pair off This is a current restriction of the implementation of pair granular styles with history. -E: Could not find pair fix ID +U: Could not find pair fix ID A fix is created internally by the pair style to store shear history information. You cannot delete it. diff --git a/src/KIM/pair_kim.h b/src/KIM/pair_kim.h index 07947f9d18..fb4cda8af9 100644 --- a/src/KIM/pair_kim.h +++ b/src/KIM/pair_kim.h @@ -197,24 +197,40 @@ E: Unknown unit_style Self-explanatory. Check the input script or data file. -W: KIM Model does not provide 'energy'; Potential energy will be zero +W: KIM Model does not provide `energy'; Potential energy will be zero -Self-explanatory. +UNDOCUMENTED -W: KIM Model does not provide 'forces'; Forces will be zero +W: KIM Model does not provide `forces'; Forces will be zero -Self-explanatory. +UNDOCUMENTED -W: KIM Model does not provide 'particleEnergy'; energy per atom will be zero +W: KIM Model does not provide `particleEnergy'; energy per atom will be zero -Self-explanatory. +UNDOCUMENTED -W: KIM Model does not provide 'particleVirial'; virial per atom will be zero +W: KIM Model does not provide `particleVirial'; virial per atom will be zero -Self-explanatory. +UNDOCUMENTED E: Test_descriptor_string already allocated This is an internal error. Contact the developers. +U: KIM Model does not provide 'energy'; Potential energy will be zero + +Self-explanatory. + +U: KIM Model does not provide 'forces'; Forces will be zero + +Self-explanatory. + +U: KIM Model does not provide 'particleEnergy'; energy per atom will be zero + +Self-explanatory. + +U: KIM Model does not provide 'particleVirial'; virial per atom will be zero + +Self-explanatory. + */ diff --git a/src/KOKKOS/atom_vec_hybrid_kokkos.h b/src/KOKKOS/atom_vec_hybrid_kokkos.h index fcf48f6c74..988de7fa21 100644 --- a/src/KOKKOS/atom_vec_hybrid_kokkos.h +++ b/src/KOKKOS/atom_vec_hybrid_kokkos.h @@ -154,7 +154,15 @@ E: Per-processor system is too big The number of owned atoms plus ghost atoms on a single processor must fit in 32-bit integer. -E: Invalid atom type in Atoms section of data file +E: AtomVecHybridKokkos doesn't yet support threaded comm + +UNDOCUMENTED + +E: Invalid atom h_type in Atoms section of data file + +UNDOCUMENTED + +U: Invalid atom type in Atoms section of data file Atom types must range from 1 to specified # of types. diff --git a/src/KOKKOS/improper_class2_kokkos.h b/src/KOKKOS/improper_class2_kokkos.h index 8effe2950d..769ebc655f 100644 --- a/src/KOKKOS/improper_class2_kokkos.h +++ b/src/KOKKOS/improper_class2_kokkos.h @@ -107,7 +107,11 @@ class ImproperClass2Kokkos : public ImproperClass2 { /* ERROR/WARNING messages: -W: Dihedral problem +W: Improper problem + +UNDOCUMENTED + +U: Dihedral problem Conformation of the 4 listed dihedral atoms is extreme; you may want to check your simulation geometry. diff --git a/src/KOKKOS/kokkos.h b/src/KOKKOS/kokkos.h index 7b7848f1f0..846b7254af 100644 --- a/src/KOKKOS/kokkos.h +++ b/src/KOKKOS/kokkos.h @@ -67,7 +67,7 @@ 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 use Kokkos half/thread or full neighbor list with threads or GPUs +U: Must use Kokkos half/thread or full neighbor list with threads or GPUs Using Kokkos half-neighbor lists with threading is not allowed. diff --git a/src/KOKKOS/pair_table_kokkos.h b/src/KOKKOS/pair_table_kokkos.h index 9e785b68fd..eede023d7e 100644 --- a/src/KOKKOS/pair_table_kokkos.h +++ b/src/KOKKOS/pair_table_kokkos.h @@ -187,14 +187,6 @@ class PairTableKokkos : public PairTable { /* ERROR/WARNING messages: -E: Pair distance < table inner cutoff - -Two atoms are closer together than the pairwise table allows. - -E: Pair distance > table outer cutoff - -Two atoms are further apart than the pairwise table allows. - E: Illegal ... command Self-explanatory. Check the input script syntax and compare to the @@ -209,54 +201,62 @@ E: Illegal number of pair table entries There must be at least 2 table entries. -E: Invalid pair table length - -Length of read-in pair table is invalid - -E: Invalid pair table cutoff - -Cutoffs in pair_coeff command are not valid with read-in pair table. - -E: Bitmapped table in file does not match requested table - -Setting for bitmapped table in pair_coeff command must match table -in file exactly. - E: 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 file %s +E: Cannot use chosen neighbor list style with lj/cut/kk + +That style is not supported by Kokkos. + +U: Pair distance < table inner cutoff + +Two atoms are closer together than the pairwise table allows. + +U: Pair distance > table outer cutoff + +Two atoms are further apart than the pairwise table allows. + +U: Invalid pair table length + +Length of read-in pair table is invalid + +U: Invalid pair table cutoff + +Cutoffs in pair_coeff command are not valid with read-in pair table. + +U: Bitmapped table in file does not match requested table + +Setting for bitmapped table in pair_coeff command must match table +in file exactly. + +U: Cannot open file %s 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. -E: Did not find keyword in table file +U: Did not find keyword in table file Keyword used in pair_coeff command was not found in table file. -E: Bitmapped table is incorrect length in table file +U: Bitmapped table is incorrect length in table file Number of table entries is not a correct power of 2. -E: Invalid keyword in pair table parameters +U: Invalid keyword in pair table parameters Keyword used in list of table parameters is not recognized. -E: Pair table parameters did not set N +U: Pair table parameters did not set N List of pair table parameters must include N setting. -E: Pair table cutoffs must all be equal to use with KSpace +U: Pair table cutoffs must all be equal to use with KSpace When using pair style table with a long-range KSpace solver, the cutoffs for all atom type pairs must all be the same, since the long-range solver starts at that cutoff. -E: Cannot use chosen neighbor list style with lj/cut/kk - -That style is not supported by Kokkos. - */ diff --git a/src/KOKKOS/pair_yukawa_kokkos.h b/src/KOKKOS/pair_yukawa_kokkos.h index a4c8cf05b7..5f4e823657 100644 --- a/src/KOKKOS/pair_yukawa_kokkos.h +++ b/src/KOKKOS/pair_yukawa_kokkos.h @@ -129,18 +129,22 @@ class PairYukawaKokkos : public PairYukawa { /* ERROR/WARNING messages: -E: Illegal ... command +E: Cannot use Kokkos pair style with rRESPA inner/middle -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 - -Self-explanatory. Check the input script or data file. +UNDOCUMENTED E: Cannot use chosen neighbor list style with yukawa/kk That style is not supported by Kokkos. +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 +command-line option when running LAMMPS to see the offending line. + +U: Incorrect args for pair coefficients + +Self-explanatory. Check the input script or data file. + */ diff --git a/src/KOKKOS/pair_zbl_kokkos.h b/src/KOKKOS/pair_zbl_kokkos.h index fc54fa7092..ce3fe58640 100644 --- a/src/KOKKOS/pair_zbl_kokkos.h +++ b/src/KOKKOS/pair_zbl_kokkos.h @@ -110,4 +110,12 @@ class PairZBLKokkos : public PairZBL { /* ERROR/WARNING messages: +E: Cannot use Kokkos pair style with rRESPA inner/middle + +UNDOCUMENTED + +E: Cannot use chosen neighbor list style with lj/cut/kk + +UNDOCUMENTED + */ diff --git a/src/KOKKOS/pppm_kokkos.h b/src/KOKKOS/pppm_kokkos.h index c328b488d0..2d2b94bb49 100644 --- a/src/KOKKOS/pppm_kokkos.h +++ b/src/KOKKOS/pppm_kokkos.h @@ -432,9 +432,9 @@ 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 (yet) use PPPM with triclinic box and kspace_modify diff ad +E: Cannot (yet) use PPPM Kokkos with 'kspace_modify diff ad' -This feature is not yet supported. +UNDOCUMENTED E: Cannot (yet) use PPPM with triclinic box and slab correction @@ -449,9 +449,9 @@ E: PPPM can only currently be used with comm_style brick This is a current restriction in LAMMPS. -E: Kspace style requires atom attribute q +E: Kspace style requires atomKK attribute q -The atom style defined does not have these attributes. +UNDOCUMENTED E: Cannot use nonperiodic boundaries with PPPM @@ -473,26 +473,9 @@ E: KSpace style is incompatible with Pair style Setting a kspace style requires that a pair style with matching long-range Coulombic or dispersion components be used. -E: Pair style is incompatible with TIP4P KSpace style +E: Cannot (yet) use PPPM Kokkos TIP4P -The pair style does not have the requires TIP4P settings. - -E: Bond and angle potentials must be defined for TIP4P - -Cannot use TIP4P pair potential unless bond and angle potentials -are defined. - -E: Bad TIP4P angle type for PPPM/TIP4P - -Specified angle type is not valid. - -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. +UNDOCUMENTED W: Reducing PPPM order b/c stencil extends beyond nearest neighbor processor @@ -512,11 +495,9 @@ E: KSpace accuracy must be > 0 The kspace accuracy designated in the input must be greater than zero. -E: Could not compute grid size +E: Must use 'kspace_modify gewald' for uncharged system -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. +UNDOCUMENTED E: PPPM grid is too large @@ -550,4 +531,39 @@ outside a processor's sub-domain or even the entire simulation box. This indicates bad physics, e.g. due to highly overlapping atoms, too large a timestep, etc. +U: Cannot (yet) use PPPM with triclinic box and kspace_modify diff ad + +This feature is not yet supported. + +U: Kspace style requires atom attribute q + +The atom style defined does not have these attributes. + +U: Pair style is incompatible with TIP4P KSpace style + +The pair style does not have the requires TIP4P settings. + +U: Bond and angle potentials must be defined for TIP4P + +Cannot use TIP4P pair potential unless bond and angle potentials +are defined. + +U: Bad TIP4P angle type for PPPM/TIP4P + +Specified angle type is not valid. + +U: Bad TIP4P bond type for PPPM/TIP4P + +Specified bond type is not valid. + +U: Cannot (yet) use PPPM with triclinic box and TIP4P + +This feature is not yet supported. + +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. + */ diff --git a/src/KSPACE/ewald.h b/src/KSPACE/ewald.h index 2463dd11aa..d9ff68dd08 100644 --- a/src/KSPACE/ewald.h +++ b/src/KSPACE/ewald.h @@ -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. diff --git a/src/KSPACE/ewald_disp.h b/src/KSPACE/ewald_disp.h index 0d0385a621..946b40b193 100644 --- a/src/KSPACE/ewald_disp.h +++ b/src/KSPACE/ewald_disp.h @@ -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. diff --git a/src/KSPACE/pair_buck_long_coul_long.h b/src/KSPACE/pair_buck_long_coul_long.h index 40fe7c417f..760ed5404a 100644 --- a/src/KSPACE/pair_buck_long_coul_long.h +++ b/src/KSPACE/pair_buck_long_coul_long.h @@ -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. + */ diff --git a/src/KSPACE/pair_lj_long_coul_long.h b/src/KSPACE/pair_lj_long_coul_long.h index f11c81e289..3153fcb8a8 100644 --- a/src/KSPACE/pair_lj_long_coul_long.h +++ b/src/KSPACE/pair_lj_long_coul_long.h @@ -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. + */ diff --git a/src/KSPACE/pppm.h b/src/KSPACE/pppm.h index b543c5fd3d..9cb6bebb25 100644 --- a/src/KSPACE/pppm.h +++ b/src/KSPACE/pppm.h @@ -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. + */ diff --git a/src/LATTE/fix_latte.h b/src/LATTE/fix_latte.h index 86a58fdf3f..46c65b2016 100644 --- a/src/LATTE/fix_latte.h +++ b/src/LATTE/fix_latte.h @@ -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 + */ diff --git a/src/MANYBODY/pair_bop.h b/src/MANYBODY/pair_bop.h index f50c5edd00..ec6448db47 100644 --- a/src/MANYBODY/pair_bop.h +++ b/src/MANYBODY/pair_bop.h @@ -286,4 +286,8 @@ E: Incorrect table format check for element types Self-explanatory. +E: Unsupported BOP potential file format + +UNDOCUMENTED + */ diff --git a/src/MANYBODY/pair_eam.h b/src/MANYBODY/pair_eam.h index f0e9d77cee..63fdde9fc5 100644 --- a/src/MANYBODY/pair_eam.h +++ b/src/MANYBODY/pair_eam.h @@ -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 + */ diff --git a/src/MANYBODY/pair_eam_alloy.h b/src/MANYBODY/pair_eam_alloy.h index 54a21e7e43..1a13af278c 100644 --- a/src/MANYBODY/pair_eam_alloy.h +++ b/src/MANYBODY/pair_eam_alloy.h @@ -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 + */ diff --git a/src/MANYBODY/pair_eam_fs.h b/src/MANYBODY/pair_eam_fs.h index 80560f0730..3fb0d0bc80 100644 --- a/src/MANYBODY/pair_eam_fs.h +++ b/src/MANYBODY/pair_eam_fs.h @@ -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 + */ diff --git a/src/MANYBODY/pair_gw.cpp b/src/MANYBODY/pair_gw.cpp index e4090dbed2..8befa42d1c 100644 --- a/src/MANYBODY/pair_gw.cpp +++ b/src/MANYBODY/pair_gw.cpp @@ -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; } } diff --git a/src/MANYBODY/pair_gw.h b/src/MANYBODY/pair_gw.h index 00cbaa2beb..ae15b7d275 100644 --- a/src/MANYBODY/pair_gw.h +++ b/src/MANYBODY/pair_gw.h @@ -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. */ diff --git a/src/MANYBODY/pair_gw_zbl.h b/src/MANYBODY/pair_gw_zbl.h index 0ed7f1de56..62b3f9a43f 100644 --- a/src/MANYBODY/pair_gw_zbl.h +++ b/src/MANYBODY/pair_gw_zbl.h @@ -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. + */ diff --git a/src/MANYBODY/pair_polymorphic.h b/src/MANYBODY/pair_polymorphic.h index 8855ce7c25..3b5407f802 100644 --- a/src/MANYBODY/pair_polymorphic.h +++ b/src/MANYBODY/pair_polymorphic.h @@ -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 + */ diff --git a/src/MANYBODY/pair_tersoff_mod_c.h b/src/MANYBODY/pair_tersoff_mod_c.h index 5372bc2b15..e7e32a0a66 100644 --- a/src/MANYBODY/pair_tersoff_mod_c.h +++ b/src/MANYBODY/pair_tersoff_mod_c.h @@ -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. diff --git a/src/MANYBODY/pair_vashishta_table.h b/src/MANYBODY/pair_vashishta_table.h index 8c52f967cb..cf3bb19232 100644 --- a/src/MANYBODY/pair_vashishta_table.h +++ b/src/MANYBODY/pair_vashishta_table.h @@ -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. diff --git a/src/MC/fix_gcmc.h b/src/MC/fix_gcmc.h index 40e8ba28fe..e8de53215f 100644 --- a/src/MC/fix_gcmc.h +++ b/src/MC/fix_gcmc.h @@ -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. + */ diff --git a/src/MEAM/pair_meam.h b/src/MEAM/pair_meam.h index c035009ad9..24aec1c3ed 100644 --- a/src/MEAM/pair_meam.h +++ b/src/MEAM/pair_meam.h @@ -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. diff --git a/src/MISC/fix_deposit.h b/src/MISC/fix_deposit.h index 4663cf6647..46de781d89 100644 --- a/src/MISC/fix_deposit.h +++ b/src/MISC/fix_deposit.h @@ -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. + */ diff --git a/src/MOLECULE/angle_table.h b/src/MOLECULE/angle_table.h index cb04aa6125..984c5dc640 100644 --- a/src/MOLECULE/angle_table.h +++ b/src/MOLECULE/angle_table.h @@ -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 + */ diff --git a/src/MOLECULE/bond_table.h b/src/MOLECULE/bond_table.h index 8b84b1b66d..ee053d497b 100644 --- a/src/MOLECULE/bond_table.h +++ b/src/MOLECULE/bond_table.h @@ -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 + */ diff --git a/src/MOLECULE/dihedral_charmm.h b/src/MOLECULE/dihedral_charmm.h index 4116469904..2f8a6a6679 100644 --- a/src/MOLECULE/dihedral_charmm.h +++ b/src/MOLECULE/dihedral_charmm.h @@ -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 diff --git a/src/MOLECULE/dihedral_charmmfsw.h b/src/MOLECULE/dihedral_charmmfsw.h index ab0ccf675d..3c93f8abcf 100644 --- a/src/MOLECULE/dihedral_charmmfsw.h +++ b/src/MOLECULE/dihedral_charmmfsw.h @@ -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 diff --git a/src/MOLECULE/fix_cmap.h b/src/MOLECULE/fix_cmap.h index 0ab3170221..39d10bd77b 100644 --- a/src/MOLECULE/fix_cmap.h +++ b/src/MOLECULE/fix_cmap.h @@ -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 + +*/ diff --git a/src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.h b/src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.h index c18036caea..95272cd944 100644 --- a/src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.h +++ b/src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.h @@ -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. */ - diff --git a/src/MPIIO/dump_custom_mpiio.h b/src/MPIIO/dump_custom_mpiio.h index 8194b5f94d..334b1377a5 100644 --- a/src/MPIIO/dump_custom_mpiio.h +++ b/src/MPIIO/dump_custom_mpiio.h @@ -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. + */ diff --git a/src/MSCG/fix_mscg.h b/src/MSCG/fix_mscg.h index 2c235d436a..bcc087f0dc 100644 --- a/src/MSCG/fix_mscg.h +++ b/src/MSCG/fix_mscg.h @@ -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. + */ diff --git a/src/PYTHON/fix_python_invoke.h b/src/PYTHON/fix_python_invoke.h index 05f0bd08c6..c277e295a1 100644 --- a/src/PYTHON/fix_python_invoke.h +++ b/src/PYTHON/fix_python_invoke.h @@ -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 + */ diff --git a/src/PYTHON/fix_python_move.h b/src/PYTHON/fix_python_move.h index 7f92ecc957..7b830a3d20 100644 --- a/src/PYTHON/fix_python_move.h +++ b/src/PYTHON/fix_python_move.h @@ -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 diff --git a/src/PYTHON/pair_python.h b/src/PYTHON/pair_python.h index 440b39e482..69671f7322 100644 --- a/src/PYTHON/pair_python.h +++ b/src/PYTHON/pair_python.h @@ -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. diff --git a/src/PYTHON/python_impl.h b/src/PYTHON/python_impl.h index efe43edbd8..2ccdda95c9 100644 --- a/src/PYTHON/python_impl.h +++ b/src/PYTHON/python_impl.h @@ -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. + */ diff --git a/src/REAX/fix_reax_bonds.h b/src/REAX/fix_reax_bonds.h index 99237d8397..7246b836c1 100644 --- a/src/REAX/fix_reax_bonds.h +++ b/src/REAX/fix_reax_bonds.h @@ -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. diff --git a/src/REAX/pair_reax.h b/src/REAX/pair_reax.h index 7ee00af62a..89a1762743 100644 --- a/src/REAX/pair_reax.h +++ b/src/REAX/pair_reax.h @@ -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. + */ diff --git a/src/REPLICA/fix_neb.h b/src/REPLICA/fix_neb.h index 232790a1f0..5324b06432 100644 --- a/src/REPLICA/fix_neb.h +++ b/src/REPLICA/fix_neb.h @@ -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. diff --git a/src/REPLICA/neb.h b/src/REPLICA/neb.h index 8c2bcf9b16..556ea22bbe 100644 --- a/src/REPLICA/neb.h +++ b/src/REPLICA/neb.h @@ -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. + */ diff --git a/src/REPLICA/prd.h b/src/REPLICA/prd.h index be09af4965..3539987093 100644 --- a/src/REPLICA/prd.h +++ b/src/REPLICA/prd.h @@ -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. + */ diff --git a/src/REPLICA/temper.h b/src/REPLICA/temper.h index 3d24fdbc69..883ec30b94 100644 --- a/src/REPLICA/temper.h +++ b/src/REPLICA/temper.h @@ -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). + */ diff --git a/src/RIGID/compute_rigid_local.h b/src/RIGID/compute_rigid_local.h index 0672f5975c..bedb8574d0 100644 --- a/src/RIGID/compute_rigid_local.h +++ b/src/RIGID/compute_rigid_local.h @@ -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. diff --git a/src/RIGID/fix_ehex.h b/src/RIGID/fix_ehex.h index f31b35aea9..b606330f11 100644 --- a/src/RIGID/fix_ehex.h +++ b/src/RIGID/fix_ehex.h @@ -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. + */ diff --git a/src/RIGID/fix_rattle.h b/src/RIGID/fix_rattle.h index e45dfb1a4a..a0405bbdcc 100644 --- a/src/RIGID/fix_rattle.h +++ b/src/RIGID/fix_rattle.h @@ -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. diff --git a/src/RIGID/fix_rigid.h b/src/RIGID/fix_rigid.h index 12439d42cf..467ae56cf9 100644 --- a/src/RIGID/fix_rigid.h +++ b/src/RIGID/fix_rigid.h @@ -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. diff --git a/src/RIGID/fix_rigid_small.h b/src/RIGID/fix_rigid_small.h index 22f9b0c16c..493185104f 100644 --- a/src/RIGID/fix_rigid_small.h +++ b/src/RIGID/fix_rigid_small.h @@ -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. diff --git a/src/SHOCK/fix_msst.h b/src/SHOCK/fix_msst.h index b6229e7527..43a4ca77a4 100644 --- a/src/SHOCK/fix_msst.h +++ b/src/SHOCK/fix_msst.h @@ -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. diff --git a/src/SNAP/compute_snad_atom.h b/src/SNAP/compute_snad_atom.h index 8eaae2a67f..5e40632d8c 100644 --- a/src/SNAP/compute_snad_atom.h +++ b/src/SNAP/compute_snad_atom.h @@ -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. + */ diff --git a/src/SNAP/pair_snap.h b/src/SNAP/pair_snap.h index e0d7c45063..d39cb0f8d4 100644 --- a/src/SNAP/pair_snap.h +++ b/src/SNAP/pair_snap.h @@ -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. diff --git a/src/VORONOI/compute_voronoi_atom.h b/src/VORONOI/compute_voronoi_atom.h index 8fd187cea3..d19ce49bd0 100644 --- a/src/VORONOI/compute_voronoi_atom.h +++ b/src/VORONOI/compute_voronoi_atom.h @@ -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. diff --git a/src/angle_zero.h b/src/angle_zero.h index 59c55679a8..e40fc8355c 100644 --- a/src/angle_zero.h +++ b/src/angle_zero.h @@ -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. diff --git a/src/atom.h b/src/atom.h index 6d8db51d74..abfa6e5eb5 100644 --- a/src/atom.h +++ b/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. + */ diff --git a/src/atom_map.h b/src/atom_map.h new file mode 100644 index 0000000000..64e6e93689 --- /dev/null +++ b/src/atom_map.h @@ -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 + +*/ diff --git a/src/balance.h b/src/balance.h index 43e8851ad9..3e5e0e0d70 100644 --- a/src/balance.h +++ b/src/balance.h @@ -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. + */ diff --git a/src/bond.h b/src/bond.h index 29de7ad7d2..b34628d757 100644 --- a/src/bond.h +++ b/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 + */ diff --git a/src/bond_zero.h b/src/bond_zero.h index a169e094e8..b7b7e99960 100644 --- a/src/bond_zero.h +++ b/src/bond_zero.h @@ -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. diff --git a/src/change_box.h b/src/change_box.h index f4622f9b99..d9152b7fb0 100644 --- a/src/change_box.h +++ b/src/change_box.h @@ -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. diff --git a/src/comm.h b/src/comm.h index b0e71f5435..aefcb14391 100644 --- a/src/comm.h +++ b/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. + */ diff --git a/src/comm_tiled.h b/src/comm_tiled.h index 40738d308a..13ecbc4b01 100644 --- a/src/comm_tiled.h +++ b/src/comm_tiled.h @@ -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. + */ diff --git a/src/compute_aggregate_atom.h b/src/compute_aggregate_atom.h index dc2e1d7b40..643c21e5fb 100644 --- a/src/compute_aggregate_atom.h +++ b/src/compute_aggregate_atom.h @@ -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. diff --git a/src/compute_angle.h b/src/compute_angle.h index c39a2c3d27..b4240ff5db 100644 --- a/src/compute_angle.h +++ b/src/compute_angle.h @@ -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. + */ diff --git a/src/compute_bond.h b/src/compute_bond.h index 0f6c088f1d..f477b54fc5 100644 --- a/src/compute_bond.h +++ b/src/compute_bond.h @@ -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. + */ diff --git a/src/compute_bond_local.h b/src/compute_bond_local.h index 9716749917..b3e99fc61b 100644 --- a/src/compute_bond_local.h +++ b/src/compute_bond_local.h @@ -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 + */ diff --git a/src/compute_centro_atom.h b/src/compute_centro_atom.h index 393d001f22..ffbf57a3ea 100644 --- a/src/compute_centro_atom.h +++ b/src/compute_centro_atom.h @@ -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 diff --git a/src/compute_chunk_atom.h b/src/compute_chunk_atom.h index 59c93b38f3..5f7e165f98 100644 --- a/src/compute_chunk_atom.h +++ b/src/compute_chunk_atom.h @@ -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. + */ diff --git a/src/compute_coord_atom.h b/src/compute_coord_atom.h index 6c60c86266..2bbc1b6720 100644 --- a/src/compute_coord_atom.h +++ b/src/compute_coord_atom.h @@ -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. diff --git a/src/compute_dihedral.h b/src/compute_dihedral.h index 041e1f6eae..2debd31e3c 100644 --- a/src/compute_dihedral.h +++ b/src/compute_dihedral.h @@ -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. + */ diff --git a/src/compute_displace_atom.h b/src/compute_displace_atom.h index 05c729daa4..03ff838526 100644 --- a/src/compute_displace_atom.h +++ b/src/compute_displace_atom.h @@ -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. diff --git a/src/compute_fragment_atom.h b/src/compute_fragment_atom.h index 2365b6028b..6031d43841 100644 --- a/src/compute_fragment_atom.h +++ b/src/compute_fragment_atom.h @@ -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. diff --git a/src/compute_global_atom.h b/src/compute_global_atom.h index 439720f712..e2da95fcce 100644 --- a/src/compute_global_atom.h +++ b/src/compute_global_atom.h @@ -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. diff --git a/src/compute_group_group.h b/src/compute_group_group.h index c7443bda5c..c1231f07a7 100644 --- a/src/compute_group_group.h +++ b/src/compute_group_group.h @@ -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. diff --git a/src/compute_improper.h b/src/compute_improper.h index d3602677a6..34214f07a9 100644 --- a/src/compute_improper.h +++ b/src/compute_improper.h @@ -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. + */ diff --git a/src/compute_omega_chunk.h b/src/compute_omega_chunk.h index 7a9fdff9c7..01fceb178e 100644 --- a/src/compute_omega_chunk.h +++ b/src/compute_omega_chunk.h @@ -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 + */ diff --git a/src/compute_pair.h b/src/compute_pair.h index 91702748a6..9f2678aaab 100644 --- a/src/compute_pair.h +++ b/src/compute_pair.h @@ -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. + */ diff --git a/src/compute_pair_local.h b/src/compute_pair_local.h index df8e6a999b..3bd1dccd1a 100644 --- a/src/compute_pair_local.h +++ b/src/compute_pair_local.h @@ -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. diff --git a/src/compute_property_local.h b/src/compute_property_local.h index 2b0dda5a10..855fb9d3e9 100644 --- a/src/compute_property_local.h +++ b/src/compute_property_local.h @@ -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. + */ diff --git a/src/compute_rdf.h b/src/compute_rdf.h index 4188799b74..af4f56e838 100644 --- a/src/compute_rdf.h +++ b/src/compute_rdf.h @@ -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. diff --git a/src/compute_slice.h b/src/compute_slice.h index 7435b7f210..8cc0f9896d 100644 --- a/src/compute_slice.h +++ b/src/compute_slice.h @@ -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 + */ diff --git a/src/create_bonds.h b/src/create_bonds.h index 175c74f5bc..0c71242ed9 100644 --- a/src/create_bonds.h +++ b/src/create_bonds.h @@ -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 + */ diff --git a/src/delete_atoms.h b/src/delete_atoms.h index 9a091433a8..5eab7f6ba7 100644 --- a/src/delete_atoms.h +++ b/src/delete_atoms.h @@ -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. diff --git a/src/dihedral_zero.h b/src/dihedral_zero.h index 8b40a4439f..d27ff6abba 100644 --- a/src/dihedral_zero.h +++ b/src/dihedral_zero.h @@ -52,3 +52,14 @@ class DihedralZero : public Dihedral { #endif #endif +/* ERROR/WARNING messages: + +E: Illegal ... command + +UNDOCUMENTED + +E: Incorrect args for dihedral coefficients + +UNDOCUMENTED + +*/ diff --git a/src/displace_atoms.h b/src/displace_atoms.h index c303332900..737d55dbdd 100644 --- a/src/displace_atoms.h +++ b/src/displace_atoms.h @@ -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. diff --git a/src/domain.h b/src/domain.h index 5a651009b7..649e722c50 100644 --- a/src/domain.h +++ b/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. + */ diff --git a/src/dump.h b/src/dump.h index 200ea62208..472f69bfb9 100644 --- a/src/dump.h +++ b/src/dump.h @@ -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 diff --git a/src/dump_cfg.h b/src/dump_cfg.h index 2ede0789be..3a51bc8dd6 100644 --- a/src/dump_cfg.h +++ b/src/dump_cfg.h @@ -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. + */ diff --git a/src/dump_custom.h b/src/dump_custom.h index 8067415834..1420d69b9b 100644 --- a/src/dump_custom.h +++ b/src/dump_custom.h @@ -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. diff --git a/src/dump_image.h b/src/dump_image.h index 7e85ff9cd4..4faf558b1a 100644 --- a/src/dump_image.h +++ b/src/dump_image.h @@ -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. diff --git a/src/dump_local.h b/src/dump_local.h index ffca02b381..91381ba1ec 100644 --- a/src/dump_local.h +++ b/src/dump_local.h @@ -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 diff --git a/src/finish.h b/src/finish.h index f93af36ea6..dc69d41eb8 100644 --- a/src/finish.h +++ b/src/finish.h @@ -30,6 +30,11 @@ class Finish : protected Pointers { } #endif + /* ERROR/WARNING messages: +W: Timing breakdown may not be accurate since GPU/CPU overlap is enabled\nUsing 'export CUDA_LAUNCH_BLOCKING=1' will give an accurate timing breakdown but will reduce performance + +UNDOCUMENTED + */ diff --git a/src/fix_adapt.h b/src/fix_adapt.h index 6e49f4a284..0bb594b7a4 100644 --- a/src/fix_adapt.h +++ b/src/fix_adapt.h @@ -111,6 +111,18 @@ E: Fix adapt type pair range is not valid for pair hybrid sub-style Self-explanatory. +E: Fix adapt bond style does not exist + +UNDOCUMENTED + +E: Fix adapt bond style param not supported + +UNDOCUMENTED + +E: Fix adapt does not support bond_style hybrid + +UNDOCUMENTED + E: Fix adapt kspace style does not exist Self-explanatory. diff --git a/src/fix_ave_correlate.h b/src/fix_ave_correlate.h index 6c592923a3..6d2567e730 100644 --- a/src/fix_ave_correlate.h +++ b/src/fix_ave_correlate.h @@ -125,6 +125,10 @@ E: Fix ave/correlate variable is not equal-style variable Self-explanatory. +E: Fix ave/correlate variable is not vector-style variable + +UNDOCUMENTED + E: Error writing file header Something in the output to the file triggered an error. diff --git a/src/fix_ave_histo.h b/src/fix_ave_histo.h index c740a26256..123122b051 100644 --- a/src/fix_ave_histo.h +++ b/src/fix_ave_histo.h @@ -82,13 +82,9 @@ 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 ID for fix ave/histo does not exist +E: No values in fix ave/histo command -Self-explanatory. - -E: Fix ID for fix ave/histo does not exist - -Self-explanatory. +UNDOCUMENTED E: Fix ave/histo input is invalid compute @@ -115,6 +111,10 @@ E: Fix ave/histo cannot input local values in scalar mode Self-explanatory. +E: Compute ID for fix ave/histo does not exist + +Self-explanatory. + E: Fix ave/histo compute does not calculate a global scalar Self-explanatory. @@ -159,6 +159,10 @@ E: Fix ave/histo compute does not calculate a local array Self-explanatory. +E: Fix ID for fix ave/histo does not exist + +Self-explanatory. + E: Fix ave/histo fix does not calculate a global scalar Self-explanatory. @@ -212,6 +216,22 @@ E: Variable name for fix ave/histo does not exist Self-explanatory. +E: Fix ave/histo variable is not equal-style variable + +UNDOCUMENTED + +E: Fix ave/histo variable is not vector-style variable + +UNDOCUMENTED + +E: Fix ave/histo variable cannot be indexed + +UNDOCUMENTED + +E: Fix ave/histo variable is not atom-style variable + +UNDOCUMENTED + E: Error writing file header Something in the output to the file triggered an error. diff --git a/src/fix_ave_histo_weight.h b/src/fix_ave_histo_weight.h index 2eba1a0468..22812384de 100644 --- a/src/fix_ave_histo_weight.h +++ b/src/fix_ave_histo_weight.h @@ -59,6 +59,10 @@ E: Invalid timestep reset for fix ave/histo Resetting the timestep has invalidated the sequence of timesteps this fix needs to process. +E: Fix ave/histo/weight option not yet supported + +UNDOCUMENTED + E: Error writing out histogram data Something in the output to the file triggered an error. diff --git a/src/fix_ave_time.h b/src/fix_ave_time.h index 0357815f0c..aa1d2333cf 100644 --- a/src/fix_ave_time.h +++ b/src/fix_ave_time.h @@ -91,18 +91,14 @@ E: No values in fix ave/time command Self-explanatory. -E: Compute ID for fix ave/time does not exist - -Self-explanatory. - -E: Fix ID for fix ave/time does not exist - -Self-explanatory. - E: Invalid fix ave/time off column Self-explanatory. +E: Compute ID for fix ave/time does not exist + +Self-explanatory. + E: Fix ave/time compute does not calculate a scalar Self-explanatory. @@ -123,6 +119,10 @@ E: Fix ave/time compute array is accessed out-of-range An index for the array is out of bounds. +E: Fix ID for fix ave/time does not exist + +Self-explanatory. + E: Fix ave/time fix does not calculate a scalar Self-explanatory. @@ -164,9 +164,13 @@ E: Fix ave/time variable is not equal-style variable Self-explanatory. -E: Fix ave/time cannot use variable with vector mode +E: Fix ave/time variable is not vector-style variable -Variables produce scalar values. +UNDOCUMENTED + +E: Fix ave/time mode vector variable cannot be indexed + +UNDOCUMENTED E: Error writing file header @@ -187,6 +191,10 @@ E: Error writing out time averaged data Something in the output to the file triggered an error. +E: Fix ave/time vector-style variable changed length + +UNDOCUMENTED + E: Fix ave/time columns are inconsistent lengths Self-explanatory. @@ -196,4 +204,8 @@ E: Cannot open fix ave/time file %s The specified file cannot be opened. Check that the path and name are correct. +U: Fix ave/time cannot use variable with vector mode + +Variables produce scalar values. + */ diff --git a/src/fix_balance.h b/src/fix_balance.h index 71222a00a1..8b8759ec97 100644 --- a/src/fix_balance.h +++ b/src/fix_balance.h @@ -82,7 +82,11 @@ E: Fix balance rcb cannot be used with comm_style brick Comm_style tiled must be used instead. -E: Cannot open fix balance output file +E: Fix balance nevery = 0 cannot be used with weight var + +UNDOCUMENTED + +U: Cannot open fix balance output file Self-explanatory. diff --git a/src/fix_controller.h b/src/fix_controller.h index 643fb9017f..7431cb16d2 100644 --- a/src/fix_controller.h +++ b/src/fix_controller.h @@ -55,4 +55,44 @@ class FixController : public Fix { /* ERROR/WARNING messages: +E: Illegal ... command + +UNDOCUMENTED + +E: Compute ID for fix controller does not exist + +UNDOCUMENTED + +E: Fix controller compute does not calculate a global scalar or vector + +UNDOCUMENTED + +E: Fix controller compute vector is accessed out-of-range + +UNDOCUMENTED + +E: Fix ID for fix controller does not exist + +UNDOCUMENTED + +E: Fix controller fix does not calculate a global scalar or vector + +UNDOCUMENTED + +E: Fix controller fix vector is accessed out-of-range + +UNDOCUMENTED + +E: Variable name for fix controller does not exist + +UNDOCUMENTED + +E: Fix controller variable is not equal-style variable + +UNDOCUMENTED + +E: Fix controller variable is not internal-style variable + +UNDOCUMENTED + */ diff --git a/src/fix_deform.h b/src/fix_deform.h index 4d440eb3c7..7f70c3a3d2 100644 --- a/src/fix_deform.h +++ b/src/fix_deform.h @@ -135,4 +135,8 @@ When both yz and xy are changing, it induces changes in xz if the box must flip from one tilt extreme to another. Thus it is not allowed for yz to grow so much that a flip is induced. +E: Fix deform settings not consistent with restart + +UNDOCUMENTED + */ diff --git a/src/fix_deprecated.h b/src/fix_deprecated.h index dcfe75358f..e11e283f37 100644 --- a/src/fix_deprecated.h +++ b/src/fix_deprecated.h @@ -42,7 +42,11 @@ class FixDeprecated : public Fix { /* ERROR/WARNING messages: -E: The fix ave/spatial command has been removed from LAMMPS +E: This fix command has been removed from LAMMPS + +UNDOCUMENTED + +U: The fix ave/spatial command has been removed from LAMMPS It has been replaced by the more flexible fix ave/chunk and compute chunk/atom commands. All the fix ave/spatial keywords and options are diff --git a/src/fix_enforce2d.h b/src/fix_enforce2d.h index c475953017..cdead78f6a 100644 --- a/src/fix_enforce2d.h +++ b/src/fix_enforce2d.h @@ -58,4 +58,8 @@ E: Cannot use fix enforce2d with 3d simulation Self-explanatory. +E: Fix enforce2d must be defined after fix %s + +UNDOCUMENTED + */ diff --git a/src/fix_external.h b/src/fix_external.h index 1e9e78365f..1485e0a60b 100644 --- a/src/fix_external.h +++ b/src/fix_external.h @@ -82,4 +82,8 @@ E: Fix external callback function not set This must be done by an external program in order to use this fix. +E: Invalid set_vector index in fix external + +UNDOCUMENTED + */ diff --git a/src/fix_group.h b/src/fix_group.h index 662325492b..070b4801bc 100644 --- a/src/fix_group.h +++ b/src/fix_group.h @@ -67,6 +67,10 @@ E: Variable name for group dynamic does not exist Self-explanatory. +E: Per atom property for group dynamic does not exist + +UNDOCUMENTED + E: Group dynamic parent group cannot be dynamic Self-explanatory. @@ -75,6 +79,10 @@ E: Variable for group dynamic is invalid style The variable must be an atom-style variable. +E: Per-atom property for group dynamic does not exist + +UNDOCUMENTED + W: One or more dynamic groups may not be updated at correct point in timestep If there are other fixes that act immediately after the initial stage diff --git a/src/fix_halt.h b/src/fix_halt.h index 52d2f95d2f..73c8d0115a 100644 --- a/src/fix_halt.h +++ b/src/fix_halt.h @@ -57,7 +57,27 @@ 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: Cannot open fix print file %s +E: Could not find fix halt variable name + +UNDOCUMENTED + +E: Fix halt variable is not equal-style variable + +UNDOCUMENTED + +E: Invalid fix halt attribute + +UNDOCUMENTED + +E: Invalid fix halt operator + +UNDOCUMENTED + +E: Fix halt %s condition met on step %ld with value %g + +UNDOCUMENTED + +U: Cannot open fix print file %s The output file generated by the fix print command cannot be opened diff --git a/src/fix_heat.h b/src/fix_heat.h index 36def2cfd1..a5064c5947 100644 --- a/src/fix_heat.h +++ b/src/fix_heat.h @@ -73,10 +73,18 @@ E: Variable for fix heat is invalid style Only equal-style or atom-style variables can be used. +W: Cannot apply fix heat to atoms in rigid bodies + +UNDOCUMENTED + E: Fix heat group has no atoms Self-explanatory. +E: Fix heat group has invalid mass + +UNDOCUMENTED + E: Fix heat kinetic energy went negative This will cause the velocity rescaling about to be performed by fix diff --git a/src/fix_move.h b/src/fix_move.h index accc23c7f7..13c9bc66b8 100644 --- a/src/fix_move.h +++ b/src/fix_move.h @@ -101,9 +101,9 @@ E: Fix move cannot set wiggle z motion for 2d problem Self-explanatory. -E: Fix move cannot rotate aroung non z-axis for 2d problem +E: Fix move cannot rotate around non z-axis for 2d problem -Self-explanatory. +UNDOCUMENTED E: Fix move cannot define z or vz variable for 2d problem @@ -129,4 +129,8 @@ E: Resetting timestep size is not allowed with fix move This is because fix move is moving atoms based on elapsed time. +U: Fix move cannot rotate aroung non z-axis for 2d problem + +Self-explanatory. + */ diff --git a/src/fix_neigh_history.h b/src/fix_neigh_history.h index 7aed2d6035..601e8a55a2 100644 --- a/src/fix_neigh_history.h +++ b/src/fix_neigh_history.h @@ -104,12 +104,28 @@ class FixNeighHistory : public Fix { /* ERROR/WARNING messages: -E: Pair style granular with history requires atoms have IDs +E: Illegal ... command + +UNDOCUMENTED + +E: Neighbor history requires atoms have IDs + +UNDOCUMENTED + +E: Neighbor history overflow, boost neigh_modify one + +UNDOCUMENTED + +E: Unsupported comm mode in neighbor history + +UNDOCUMENTED + +U: Pair style granular with history requires atoms have IDs Atoms in the simulation do not have IDs, so history effects cannot be tracked by the granular pair potential. -E: Shear history overflow, boost neigh_modify one +U: Shear history overflow, boost neigh_modify one There are too many neighbors of a single atom. Use the neigh_modify command to increase the max number of neighbors allowed for one atom. diff --git a/src/fix_nh.h b/src/fix_nh.h index 8176c3ebb7..807ea2a71f 100644 --- a/src/fix_nh.h +++ b/src/fix_nh.h @@ -222,10 +222,6 @@ E: Using update dipole flag requires atom attribute mu Self-explanatory. -E: The dlm flag must be used with update dipole - -Self-explanatory. - E: Fix nvt/npt/nph damping parameters must be > 0.0 Self-explanatory. @@ -242,6 +238,10 @@ E: Pressure ID for fix npt/nph does not exist Self-explanatory. +E: Non-numeric pressure - simulation unstable + +UNDOCUMENTED + E: Fix npt/nph has tilted box too far in one step - periodic cell is too far from equilibrium state Self-explanatory. The change in the box tilt is too extreme @@ -272,4 +272,8 @@ E: Fix_modify pressure ID does not compute pressure The compute ID assigned to the fix must compute pressure. +U: The dlm flag must be used with update dipole + +Self-explanatory. + */ diff --git a/src/fix_nh_sphere.h b/src/fix_nh_sphere.h index 33e80588da..2e0394064e 100644 --- a/src/fix_nh_sphere.h +++ b/src/fix_nh_sphere.h @@ -42,7 +42,15 @@ E: Fix nvt/nph/npt sphere requires atom style sphere Self-explanatory. -E: Fix nvt/sphere requires extended particles +E: Fix nvt/nph/npt sphere disc option requires 2d simulation + +UNDOCUMENTED + +E: Fix nvt/npt/nph/sphere require extended particles + +UNDOCUMENTED + +U: Fix nvt/sphere requires extended particles This fix can only be used for particles of a finite size. diff --git a/src/fix_nve_sphere.h b/src/fix_nve_sphere.h index 9a95f4db5f..777360081a 100644 --- a/src/fix_nve_sphere.h +++ b/src/fix_nve_sphere.h @@ -51,6 +51,10 @@ 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: Fix nve/sphere disc requires 2d simulation + +UNDOCUMENTED + E: Fix nve/sphere requires atom style sphere Self-explanatory. @@ -63,9 +67,8 @@ E: Fix nve/sphere requires extended particles This fix can only be used for particles of a finite size. -E: Fix nve/sphere dlm must be used with update dipole +U: Fix nve/sphere dlm must be used with update dipole The DLM algorithm can only be used in conjunction with update dipole. - */ diff --git a/src/fix_property_atom.h b/src/fix_property_atom.h index d923d76cac..9e0236f61e 100644 --- a/src/fix_property_atom.h +++ b/src/fix_property_atom.h @@ -88,13 +88,21 @@ E: Fix property/atom cannot specify q twice Self-explanatory. +E: Fix property/atom rmass when atom_style already has rmass attribute + +UNDOCUMENTED + +E: Fix property/atom cannot specify rmass twice + +UNDOCUMENTED + E: Fix property/atom vector name already exists The name for an integer or floating-point vector must be unique. -W: Fix property/atom mol or charge w/out ghost communication +W: Fix property/atom mol or charge or rmass w/out ghost communication -A model typically needs these properties defined for ghost atoms. +UNDOCUMENTED E: Atom style was redefined after using fix property/atom @@ -114,4 +122,8 @@ E: Invalid atom ID in %s section of data file An atom in a section of the data file being read by fix property/atom has an invalid atom ID that is <= 0 or > the maximum existing atom ID. +U: Fix property/atom mol or charge w/out ghost communication + +A model typically needs these properties defined for ghost atoms. + */ diff --git a/src/fix_spring_chunk.h b/src/fix_spring_chunk.h index 1453a8e621..9ba6d3a2f8 100644 --- a/src/fix_spring_chunk.h +++ b/src/fix_spring_chunk.h @@ -63,15 +63,35 @@ 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: R0 < 0 for fix spring command +E: Chunk/atom compute does not exist for fix spring/chunk + +UNDOCUMENTED + +E: Fix spring/chunk does not use chunk/atom compute + +UNDOCUMENTED + +E: Com/chunk compute does not exist for fix spring/chunk + +UNDOCUMENTED + +E: Fix spring/chunk does not use com/chunk compute + +UNDOCUMENTED + +E: Fix spring chunk chunkID not same as comID chunkID + +UNDOCUMENTED + +U: R0 < 0 for fix spring command Equilibrium spring length is invalid. -E: Fix spring couple group ID does not exist +U: Fix spring couple group ID does not exist Self-explanatory. -E: Two groups cannot be the same in fix spring couple +U: Two groups cannot be the same in fix spring couple Self-explanatory. diff --git a/src/fix_temp_berendsen.h b/src/fix_temp_berendsen.h index 2b4a22a8c4..ffc0ca5def 100644 --- a/src/fix_temp_berendsen.h +++ b/src/fix_temp_berendsen.h @@ -77,6 +77,10 @@ E: Temperature ID for fix temp/berendsen does not exist Self-explanatory. +W: Cannot thermostat atoms in rigid bodies + +UNDOCUMENTED + E: Computed temperature for fix temp/berendsen cannot be 0.0 Self-explanatory. diff --git a/src/fix_temp_csld.h b/src/fix_temp_csld.h index 3c4ddeefb4..2fde8537ee 100644 --- a/src/fix_temp_csld.h +++ b/src/fix_temp_csld.h @@ -80,6 +80,10 @@ E: Temperature ID for fix temp/csld does not exist Self-explanatory. +W: Cannot thermostat atoms in rigid bodies + +UNDOCUMENTED + E: Fix temp/csld variable returned negative temperature Self-explanatory. diff --git a/src/fix_tmd.h b/src/fix_tmd.h index dc994936df..337b037c2d 100644 --- a/src/fix_tmd.h +++ b/src/fix_tmd.h @@ -81,6 +81,10 @@ E: Cannot open fix tmd file %s The output file for the fix tmd command cannot be opened. Check that the path and name are correct. +E: Cannot use fix TMD on massless group + +UNDOCUMENTED + E: Fix tmd must come after integration fixes Any fix tmd command must appear in the input script after all time @@ -91,6 +95,10 @@ E: Incorrect format in TMD target file Format of file read by fix tmd command is incorrect. +W: Ignoring empty or incorrectly formatted line in target file + +UNDOCUMENTED + E: TMD target file did not list all group atoms The target file for the fix tmd command did not list all atoms in the diff --git a/src/fix_vector.h b/src/fix_vector.h index c22dc0ea77..ff962b235b 100644 --- a/src/fix_vector.h +++ b/src/fix_vector.h @@ -106,6 +106,10 @@ E: Fix vector variable is not equal-style variable Self-explanatory. +E: Fix vector variable is not vector-style variable + +UNDOCUMENTED + E: Fix vector cannot set output array intensive/extensive from these inputs The inputs to the command have conflicting intensive/extensive attributes. diff --git a/src/force.h b/src/force.h index 9ea0ec4201..76cd69ed76 100644 --- a/src/force.h +++ b/src/force.h @@ -157,33 +157,37 @@ class Force : protected Pointers { /* ERROR/WARNING messages: -E: Unknown pair style +E: Must re-specify non-restarted pair style (%s) after read_restart -The choice of pair style is unknown. +UNDOCUMENTED -E: Unknown bond style +E: Unknown pair style %s -The choice of bond style is unknown. +UNDOCUMENTED -E: Unknown angle style +E: Unknown bond style %s -The choice of angle style is unknown. +UNDOCUMENTED -E: Unknown dihedral style +E: Unknown angle style %s -The choice of dihedral style is unknown. +UNDOCUMENTED -E: Unknown improper style +E: Unknown dihedral style %s -The choice of improper style is unknown. +UNDOCUMENTED + +E: Unknown improper style %s + +UNDOCUMENTED E: Cannot yet use KSpace solver with grid with comm style tiled This is current restriction in LAMMPS. -E: Unknown kspace style +E: Unknown kspace style %s -The choice of kspace style is unknown. +UNDOCUMENTED E: Illegal ... command @@ -191,7 +195,31 @@ 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: Numeric index is out of bounds +U: Unknown pair style + +The choice of pair style is unknown. + +U: Unknown bond style + +The choice of bond style is unknown. + +U: Unknown angle style + +The choice of angle style is unknown. + +U: Unknown dihedral style + +The choice of dihedral style is unknown. + +U: Unknown improper style + +The choice of improper style is unknown. + +U: Unknown kspace style + +The choice of kspace style is unknown. + +U: Numeric index is out of bounds A command with an argument that specifies an integer or range of integers is using a value that is less than 1 or greater than the diff --git a/src/group.h b/src/group.h index 31e9b719f8..8f07fa19d0 100644 --- a/src/group.h +++ b/src/group.h @@ -174,4 +174,8 @@ E: Group all cannot be made dynamic This operation is not allowed. +E: Insufficient Jacobi rotations for group::omega + +UNDOCUMENTED + */ diff --git a/src/imbalance_group.h b/src/imbalance_group.h index b3961ea389..a505ebbb5b 100644 --- a/src/imbalance_group.h +++ b/src/imbalance_group.h @@ -39,3 +39,15 @@ class ImbalanceGroup : public Imbalance { } #endif + +/* ERROR/WARNING messages: + +E: Illegal ... command + +UNDOCUMENTED + +E: Unknown group in balance weight command + +UNDOCUMENTED + +*/ diff --git a/src/imbalance_neigh.h b/src/imbalance_neigh.h index e905d3e1c0..0af58fc7ca 100644 --- a/src/imbalance_neigh.h +++ b/src/imbalance_neigh.h @@ -39,3 +39,19 @@ class ImbalanceNeigh : public Imbalance { } #endif + +/* ERROR/WARNING messages: + +E: Illegal ... command + +UNDOCUMENTED + +W: Balance weight neigh skipped b/c no list found + +UNDOCUMENTED + +E: Balance weight <= 0.0 + +UNDOCUMENTED + +*/ diff --git a/src/imbalance_store.h b/src/imbalance_store.h index 74f200ecbf..7e2a30a37f 100644 --- a/src/imbalance_store.h +++ b/src/imbalance_store.h @@ -38,3 +38,11 @@ class ImbalanceStore : public Imbalance { } #endif + +/* ERROR/WARNING messages: + +E: Illegal ... command + +UNDOCUMENTED + +*/ diff --git a/src/imbalance_time.h b/src/imbalance_time.h index 8f20cc42a4..2bad13a4f6 100644 --- a/src/imbalance_time.h +++ b/src/imbalance_time.h @@ -41,3 +41,15 @@ class ImbalanceTime : public Imbalance { } #endif + +/* ERROR/WARNING messages: + +E: Illegal ... command + +UNDOCUMENTED + +E: Balance weight <= 0.0 + +UNDOCUMENTED + +*/ diff --git a/src/imbalance_var.h b/src/imbalance_var.h index d354679c78..fba4a9c2f7 100644 --- a/src/imbalance_var.h +++ b/src/imbalance_var.h @@ -41,3 +41,23 @@ class ImbalanceVar : public Imbalance { } #endif + +/* ERROR/WARNING messages: + +E: Illegal ... command + +UNDOCUMENTED + +E: Variable name for balance weight does not exist + +UNDOCUMENTED + +E: Variable for balance weight has invalid style + +UNDOCUMENTED + +E: Balance weight <= 0.0 + +UNDOCUMENTED + +*/ diff --git a/src/improper_zero.h b/src/improper_zero.h index d999bdd8d9..0e16411fef 100644 --- a/src/improper_zero.h +++ b/src/improper_zero.h @@ -50,6 +50,10 @@ class ImproperZero : public Improper { /* ERROR/WARNING messages: +E: Illegal ... command + +UNDOCUMENTED + E: Incorrect args for improper coefficients Self-explanatory. Check the input script or data file. diff --git a/src/input.h b/src/input.h index 9165ad9813..55d93e6303 100644 --- a/src/input.h +++ b/src/input.h @@ -181,10 +181,9 @@ E: Invalid immediate variable Syntax of immediate value is incorrect. -E: Substitution for illegal variable +E: Substitution for illegal variable %s -Input script line contained a variable that could not be substituted -for. +UNDOCUMENTED E: Illegal ... command @@ -254,6 +253,14 @@ E: Bond_style command when no bonds allowed The chosen atom style does not allow for bonds to be defined. +E: Bond_write command when no bonds allowed + +UNDOCUMENTED + +E: Bond_write command before bond_style is defined + +UNDOCUMENTED + E: Boundary command after simulation box is defined The boundary command cannot be used after a read_data, read_restart, @@ -381,4 +388,9 @@ E: Units command after simulation box is defined The units command cannot be used after a read_data, read_restart, or create_box command. +U: Substitution for illegal variable + +Input script line contained a variable that could not be substituted +for. + */ diff --git a/src/lammps.h b/src/lammps.h index e3b815e623..26714ab072 100644 --- a/src/lammps.h +++ b/src/lammps.h @@ -167,10 +167,6 @@ This error occurs whenthe sizes of smallint, imageint, tagint, bigint, as defined in src/lmptype.h are not what is expected. Contact the developers if this occurs. -E: Cannot use -cuda on and -kokkos on together - -This is not allowed since both packages can use GPUs. - E: Cannot use -kokkos on without KOKKOS installed Self-explanatory. @@ -196,4 +192,8 @@ E: Too many -pk arguments in command line The string formed by concatenating the arguments is too long. Use a package command in the input script instead. +U: Cannot use -cuda on and -kokkos on together + +This is not allowed since both packages can use GPUs. + */ diff --git a/src/library.h b/src/library.h index 93d9f0ef38..7c21b98dae 100644 --- a/src/library.h +++ b/src/library.h @@ -79,15 +79,51 @@ int lammps_get_last_error_message(void *, char *, int); /* ERROR/WARNING messages: +E: Library error: issuing LAMMPS command during run + +UNDOCUMENTED + W: Library error in lammps_gather_atoms This library function cannot be used if atom IDs are not defined or are not consecutively numbered. +W: lammps_gather_atoms: unknown property name + +UNDOCUMENTED + +W: Library error in lammps_gather_atoms_subset + +UNDOCUMENTED + +W: lammps_gather_atoms_subset: unknown property name + +UNDOCUMENTED + W: Library error in lammps_scatter_atoms This library function cannot be used if atom IDs are not defined or are not consecutively numbered, or if no atom map is defined. See the atom_modify command for details about atom maps. +W: lammps_scatter_atoms: unknown property name + +UNDOCUMENTED + +W: Library error in lammps_scatter_atoms_subset + +UNDOCUMENTED + +W: lammps_scatter_atoms_subset: unknown property name + +UNDOCUMENTED + +W: Library error in lammps_create_atoms + +UNDOCUMENTED + +W: Library warning in lammps_create_atoms, invalid total atoms %ld %ld + +UNDOCUMENTED + */ diff --git a/src/min.h b/src/min.h index 021198bc09..92da97c664 100644 --- a/src/min.h +++ b/src/min.h @@ -116,18 +116,9 @@ class Min : protected Pointers { /* ERROR/WARNING messages: -W: Resetting reneighboring criteria during minimization +W: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization -Minimization requires that neigh_modify settings be delay = 0, every = -1, check = yes. Since these settings were not in place, LAMMPS -changed them and will restore them to their original values after the -minimization. - -W: Energy due to X extra global DOFs will be included in minimizer energies - -When using fixes like box/relax, the potential energy used by the minimizer -is augmented by an additional energy provided by the fix. Thus the printed -converged energy may be different from the total potential energy. +UNDOCUMENTED E: Minimization could not find thermo_pe compute @@ -144,10 +135,31 @@ E: Cannot use a damped dynamics min style with per-atom DOF This is a current restriction in LAMMPS. Use another minimizer style. +E: Cannot use hftn min style with fix box/relax + +UNDOCUMENTED + +E: Cannot use hftn min style with per-atom DOF + +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. +U: Resetting reneighboring criteria during minimization + +Minimization requires that neigh_modify settings be delay = 0, every = +1, check = yes. Since these settings were not in place, LAMMPS +changed them and will restore them to their original values after the +minimization. + +U: Energy due to X extra global DOFs will be included in minimizer energies + +When using fixes like box/relax, the potential energy used by the minimizer +is augmented by an additional energy provided by the fix. Thus the printed +converged energy may be different from the total potential energy. + */ diff --git a/src/modify.h b/src/modify.h index 3e20df5aac..1163d44b16 100644 --- a/src/modify.h +++ b/src/modify.h @@ -224,9 +224,9 @@ The ID and style of a fix match for a fix you are changing with a fix command, but the new group you are specifying does not match the old group. -E: Unknown fix style +E: Unknown fix style %s -The choice of fix style is unknown. +UNDOCUMENTED E: Could not find fix_modify ID @@ -240,9 +240,9 @@ E: Reuse of compute ID A compute ID cannot be used twice. -E: Unknown compute style +E: Unknown compute style %s -The choice of compute style is unknown. +UNDOCUMENTED E: Could not find compute_modify ID @@ -252,4 +252,12 @@ E: Could not find compute ID to delete Self-explanatory. +U: Unknown fix style + +The choice of fix style is unknown. + +U: Unknown compute style + +The choice of compute style is unknown. + */ diff --git a/src/molecule.h b/src/molecule.h index e6455609ab..064e58aabd 100644 --- a/src/molecule.h +++ b/src/molecule.h @@ -191,6 +191,10 @@ E: Molecule file requires atom style body Self-explanatory. +E: Invalid header in molecule file + +UNDOCUMENTED + E: No count or invalid atom count in molecule file The number of atoms must be specified. @@ -263,6 +267,10 @@ E: Molecule file has no Body Doubles section Self-explanatory. +E: Cannot auto-generate special bonds before simulation box is defined + +UNDOCUMENTED + E: Molecule natoms must be 1 for body particle Self-explanatory. @@ -371,6 +379,10 @@ E: Molecule auto special bond generation overflow Counts exceed maxspecial setting for other atoms in system. +E: Invalid Shake Flags section in molecule file + +UNDOCUMENTED + E: Invalid shake flag in molecule file Self-explanatory. @@ -379,6 +391,10 @@ E: Invalid shake atom in molecule file Self-explanatory. +E: Invalid shake type data in molecule file + +UNDOCUMENTED + E: Invalid shake bond type in molecule file Self-explanatory. diff --git a/src/nbin.h b/src/nbin.h index 30c74ff295..d6022a6a35 100644 --- a/src/nbin.h +++ b/src/nbin.h @@ -77,4 +77,8 @@ class NBin : protected Pointers { /* ERROR/WARNING messages: +E: Non-numeric positions - simulation unstable + +UNDOCUMENTED + */ diff --git a/src/nbin_standard.h b/src/nbin_standard.h index ca96a4f133..14b587c24c 100644 --- a/src/nbin_standard.h +++ b/src/nbin_standard.h @@ -41,4 +41,16 @@ class NBinStandard : public NBin { /* ERROR/WARNING messages: +E: Domain too large for neighbor bins + +UNDOCUMENTED + +E: Cannot use neighbor bins - box size << cutoff + +UNDOCUMENTED + +E: Too many neighbor bins + +UNDOCUMENTED + */ diff --git a/src/neighbor.h b/src/neighbor.h index c054cddb2b..12f90556c2 100644 --- a/src/neighbor.h +++ b/src/neighbor.h @@ -310,22 +310,38 @@ consistently by both the short-range pair style and the long-range solver. This is not done for exclusions of charged atom pairs via the neigh_modify exclude command. +E: Cannot request an occasional binned neighbor list with ghost info + +UNDOCUMENTED + +E: Requested neighbor bin option does not exist + +UNDOCUMENTED + +E: Requested neighbor stencil method does not exist + +UNDOCUMENTED + +E: Requested neighbor pair method does not exist + +UNDOCUMENTED + +E: Could not assign bin method to neighbor stencil + +UNDOCUMENTED + +E: Could not assign bin method to neighbor pair + +UNDOCUMENTED + +E: Could not assign stencil method to neighbor pair + +UNDOCUMENTED + E: Neighbor include group not allowed with ghost neighbors This is a current restriction within LAMMPS. -E: Neighbor multi not yet enabled for ghost neighbors - -This is a current restriction within LAMMPS. - -E: Neighbor multi not yet enabled for granular - -Self-explanatory. - -E: Neighbor multi not yet enabled for rRESPA - -Self-explanatory. - E: Too many local+ghost atoms for neighbor list The number of nlocal + nghost atoms on a processor @@ -336,22 +352,9 @@ E: Trying to build an occasional neighbor list before initialization completed This is not allowed. Source code caller needs to be modified. -E: Domain too large for neighbor bins +E: Neighbor build one invoked on perpetual list -The domain has become extremely large so that neighbor bins cannot be -used. Most likely, one or more atoms have been blown out of the -simulation box to a great distance. - -E: Cannot use neighbor bins - box size << cutoff - -Too many neighbor bins will be created. This typically happens when -the simulation box is very small in some dimension, compared to the -neighbor cutoff. Use the "nsq" style instead of "bin" style. - -E: Too many neighbor bins - -This is likely due to an immense simulation box that has blown up -to a large size. +UNDOCUMENTED E: Illegal ... command @@ -371,4 +374,37 @@ E: Neigh_modify exclude molecule requires atom attribute molecule Self-explanatory. +E: Unable to find group-group exclusion + +UNDOCUMENTED + +U: Neighbor multi not yet enabled for ghost neighbors + +This is a current restriction within LAMMPS. + +U: Neighbor multi not yet enabled for granular + +Self-explanatory. + +U: Neighbor multi not yet enabled for rRESPA + +Self-explanatory. + +U: Domain too large for neighbor bins + +The domain has become extremely large so that neighbor bins cannot be +used. Most likely, one or more atoms have been blown out of the +simulation box to a great distance. + +U: Cannot use neighbor bins - box size << cutoff + +Too many neighbor bins will be created. This typically happens when +the simulation box is very small in some dimension, compared to the +neighbor cutoff. Use the "nsq" style instead of "bin" style. + +U: Too many neighbor bins + +This is likely due to an immense simulation box that has blown up +to a large size. + */ diff --git a/src/npair.h b/src/npair.h index 186f921a00..ec75042302 100644 --- a/src/npair.h +++ b/src/npair.h @@ -145,4 +145,8 @@ class NPair : protected Pointers { /* ERROR/WARNING messages: +E: Non-numeric positions - simulation unstable + +UNDOCUMENTED + */ diff --git a/src/npair_full_bin.h b/src/npair_full_bin.h index 56c338e360..6dd9d2d94e 100644 --- a/src/npair_full_bin.h +++ b/src/npair_full_bin.h @@ -41,4 +41,8 @@ class NPairFullBin : public NPair { /* ERROR/WARNING messages: +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + */ diff --git a/src/npair_full_bin_atomonly.h b/src/npair_full_bin_atomonly.h index 0845d1ecef..804637b51e 100644 --- a/src/npair_full_bin_atomonly.h +++ b/src/npair_full_bin_atomonly.h @@ -41,4 +41,8 @@ class NPairFullBinAtomonly : public NPair { /* ERROR/WARNING messages: +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + */ diff --git a/src/npair_full_bin_ghost.h b/src/npair_full_bin_ghost.h index c5a86e68af..c7ea139c23 100644 --- a/src/npair_full_bin_ghost.h +++ b/src/npair_full_bin_ghost.h @@ -41,4 +41,8 @@ class NPairFullBinGhost : public NPair { /* ERROR/WARNING messages: +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + */ diff --git a/src/npair_full_multi.h b/src/npair_full_multi.h index c778978c01..481a673060 100644 --- a/src/npair_full_multi.h +++ b/src/npair_full_multi.h @@ -40,4 +40,8 @@ class NPairFullMulti : public NPair { /* ERROR/WARNING messages: +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + */ diff --git a/src/npair_full_nsq.h b/src/npair_full_nsq.h index a1eaf8463a..95623d65d4 100644 --- a/src/npair_full_nsq.h +++ b/src/npair_full_nsq.h @@ -40,4 +40,8 @@ class NPairFullNsq : public NPair { /* ERROR/WARNING messages: +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + */ diff --git a/src/npair_full_nsq_ghost.h b/src/npair_full_nsq_ghost.h index 58cd73c392..8489221f8c 100644 --- a/src/npair_full_nsq_ghost.h +++ b/src/npair_full_nsq_ghost.h @@ -41,4 +41,8 @@ class NPairFullNsqGhost : public NPair { /* ERROR/WARNING messages: +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + */ diff --git a/src/npair_half_bin_atomonly_newton.h b/src/npair_half_bin_atomonly_newton.h index a5771e19e2..ad2e955dba 100644 --- a/src/npair_half_bin_atomonly_newton.h +++ b/src/npair_half_bin_atomonly_newton.h @@ -40,4 +40,8 @@ class NPairHalfBinAtomonlyNewton : public NPair { /* ERROR/WARNING messages: +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + */ diff --git a/src/npair_half_bin_newtoff.h b/src/npair_half_bin_newtoff.h index f6025ac095..f6c14d9300 100644 --- a/src/npair_half_bin_newtoff.h +++ b/src/npair_half_bin_newtoff.h @@ -40,4 +40,8 @@ class NPairHalfBinNewtoff : public NPair { /* ERROR/WARNING messages: +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + */ diff --git a/src/npair_half_bin_newtoff_ghost.h b/src/npair_half_bin_newtoff_ghost.h index ffdf097f7e..02c19d469a 100644 --- a/src/npair_half_bin_newtoff_ghost.h +++ b/src/npair_half_bin_newtoff_ghost.h @@ -40,4 +40,8 @@ class NPairHalfBinNewtoffGhost : public NPair { /* ERROR/WARNING messages: +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + */ diff --git a/src/npair_half_bin_newton.h b/src/npair_half_bin_newton.h index 12d8d6e4de..57b1267019 100644 --- a/src/npair_half_bin_newton.h +++ b/src/npair_half_bin_newton.h @@ -40,4 +40,8 @@ class NPairHalfBinNewton : public NPair { /* ERROR/WARNING messages: +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + */ diff --git a/src/npair_half_bin_newton_tri.h b/src/npair_half_bin_newton_tri.h index e6b09f58f4..56c5180cc7 100644 --- a/src/npair_half_bin_newton_tri.h +++ b/src/npair_half_bin_newton_tri.h @@ -40,4 +40,8 @@ class NPairHalfBinNewtonTri : public NPair { /* ERROR/WARNING messages: +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + */ diff --git a/src/npair_half_multi_newtoff.h b/src/npair_half_multi_newtoff.h index 4c57c9bfe7..593e2c1d9d 100644 --- a/src/npair_half_multi_newtoff.h +++ b/src/npair_half_multi_newtoff.h @@ -40,4 +40,8 @@ class NPairHalfMultiNewtoff : public NPair { /* ERROR/WARNING messages: +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + */ diff --git a/src/npair_half_multi_newton.h b/src/npair_half_multi_newton.h index 64021a9f58..427b771780 100644 --- a/src/npair_half_multi_newton.h +++ b/src/npair_half_multi_newton.h @@ -40,4 +40,8 @@ class NPairHalfMultiNewton : public NPair { /* ERROR/WARNING messages: +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + */ diff --git a/src/npair_half_multi_newton_tri.h b/src/npair_half_multi_newton_tri.h index 51b720e0c4..6fe7577259 100644 --- a/src/npair_half_multi_newton_tri.h +++ b/src/npair_half_multi_newton_tri.h @@ -40,4 +40,8 @@ class NPairHalfMultiNewtonTri : public NPair { /* ERROR/WARNING messages: +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + */ diff --git a/src/npair_half_nsq_newtoff.h b/src/npair_half_nsq_newtoff.h index 90a1990f7f..6904d602bd 100644 --- a/src/npair_half_nsq_newtoff.h +++ b/src/npair_half_nsq_newtoff.h @@ -40,4 +40,8 @@ class NPairHalfNsqNewtoff : public NPair { /* ERROR/WARNING messages: +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + */ diff --git a/src/npair_half_nsq_newtoff_ghost.h b/src/npair_half_nsq_newtoff_ghost.h index e772b4b5c4..75afa9f7f5 100644 --- a/src/npair_half_nsq_newtoff_ghost.h +++ b/src/npair_half_nsq_newtoff_ghost.h @@ -40,4 +40,8 @@ class NPairHalfNsqNewtoffGhost : public NPair { /* ERROR/WARNING messages: +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + */ diff --git a/src/npair_half_nsq_newton.h b/src/npair_half_nsq_newton.h index 7373c44f1a..60bd2f89d0 100644 --- a/src/npair_half_nsq_newton.h +++ b/src/npair_half_nsq_newton.h @@ -40,4 +40,8 @@ class NPairHalfNsqNewton : public NPair { /* ERROR/WARNING messages: +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + */ diff --git a/src/npair_half_respa_bin_newtoff.h b/src/npair_half_respa_bin_newtoff.h index 290783d8fe..fa48f84ad7 100644 --- a/src/npair_half_respa_bin_newtoff.h +++ b/src/npair_half_respa_bin_newtoff.h @@ -40,4 +40,8 @@ class NPairHalfRespaBinNewtoff : public NPair { /* ERROR/WARNING messages: +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + */ diff --git a/src/npair_half_respa_bin_newton.h b/src/npair_half_respa_bin_newton.h index d1566ee943..d74a653a24 100644 --- a/src/npair_half_respa_bin_newton.h +++ b/src/npair_half_respa_bin_newton.h @@ -40,4 +40,8 @@ class NPairHalfRespaBinNewton : public NPair { /* ERROR/WARNING messages: +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + */ diff --git a/src/npair_half_respa_bin_newton_tri.h b/src/npair_half_respa_bin_newton_tri.h index 779a3cd1db..44c8313609 100644 --- a/src/npair_half_respa_bin_newton_tri.h +++ b/src/npair_half_respa_bin_newton_tri.h @@ -40,4 +40,8 @@ class NPairHalfRespaBinNewtonTri : public NPair { /* ERROR/WARNING messages: +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + */ diff --git a/src/npair_half_respa_nsq_newtoff.h b/src/npair_half_respa_nsq_newtoff.h index 71f936c4ae..ffa7a5a6d5 100644 --- a/src/npair_half_respa_nsq_newtoff.h +++ b/src/npair_half_respa_nsq_newtoff.h @@ -40,4 +40,8 @@ class NPairHalfRespaNsqNewtoff : public NPair { /* ERROR/WARNING messages: +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + */ diff --git a/src/npair_half_respa_nsq_newton.h b/src/npair_half_respa_nsq_newton.h index ad6828b46a..45a9a9753f 100644 --- a/src/npair_half_respa_nsq_newton.h +++ b/src/npair_half_respa_nsq_newton.h @@ -40,4 +40,8 @@ class NPairHalfRespaNsqNewton : public NPair { /* ERROR/WARNING messages: +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + */ diff --git a/src/npair_half_size_bin_newtoff.h b/src/npair_half_size_bin_newtoff.h index ec3b1af7e9..b874c6654c 100644 --- a/src/npair_half_size_bin_newtoff.h +++ b/src/npair_half_size_bin_newtoff.h @@ -40,4 +40,8 @@ class NPairHalfSizeBinNewtoff : public NPair { /* ERROR/WARNING messages: +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + */ diff --git a/src/npair_half_size_bin_newton.h b/src/npair_half_size_bin_newton.h index 71ec9c5a37..1e7665aa6b 100644 --- a/src/npair_half_size_bin_newton.h +++ b/src/npair_half_size_bin_newton.h @@ -40,4 +40,8 @@ class NPairHalfSizeBinNewton : public NPair { /* ERROR/WARNING messages: +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + */ diff --git a/src/npair_half_size_bin_newton_tri.h b/src/npair_half_size_bin_newton_tri.h index bf956aa7fe..ccf85e8f0d 100644 --- a/src/npair_half_size_bin_newton_tri.h +++ b/src/npair_half_size_bin_newton_tri.h @@ -40,4 +40,8 @@ class NPairHalfSizeBinNewtonTri : public NPair { /* ERROR/WARNING messages: +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + */ diff --git a/src/npair_half_size_nsq_newtoff.h b/src/npair_half_size_nsq_newtoff.h index 0446208cbb..51349a8a5d 100644 --- a/src/npair_half_size_nsq_newtoff.h +++ b/src/npair_half_size_nsq_newtoff.h @@ -40,4 +40,8 @@ class NPairHalfSizeNsqNewtoff : public NPair { /* ERROR/WARNING messages: +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + */ diff --git a/src/npair_half_size_nsq_newton.h b/src/npair_half_size_nsq_newton.h index 3550d6c7f5..333ff94379 100644 --- a/src/npair_half_size_nsq_newton.h +++ b/src/npair_half_size_nsq_newton.h @@ -40,4 +40,8 @@ class NPairHalfSizeNsqNewton : public NPair { /* ERROR/WARNING messages: +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + */ diff --git a/src/npair_halffull_newtoff.h b/src/npair_halffull_newtoff.h index c4f7d00a01..2f711629be 100644 --- a/src/npair_halffull_newtoff.h +++ b/src/npair_halffull_newtoff.h @@ -56,4 +56,8 @@ class NPairHalffullNewtoff : public NPair { /* ERROR/WARNING messages: +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + */ diff --git a/src/npair_halffull_newton.h b/src/npair_halffull_newton.h index 3d20d686c3..dc82225216 100644 --- a/src/npair_halffull_newton.h +++ b/src/npair_halffull_newton.h @@ -46,4 +46,8 @@ class NPairHalffullNewton : public NPair { /* ERROR/WARNING messages: +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + */ diff --git a/src/npair_skip.h b/src/npair_skip.h index e62debd6bd..5fde8e7039 100644 --- a/src/npair_skip.h +++ b/src/npair_skip.h @@ -48,4 +48,8 @@ class NPairSkip : public NPair { /* ERROR/WARNING messages: +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + */ diff --git a/src/npair_skip_respa.h b/src/npair_skip_respa.h index deff301909..a309d47124 100644 --- a/src/npair_skip_respa.h +++ b/src/npair_skip_respa.h @@ -42,4 +42,8 @@ class NPairSkipRespa : public NPair { /* ERROR/WARNING messages: +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + */ diff --git a/src/npair_skip_size.h b/src/npair_skip_size.h index b462c9dc97..ae3f77d6ed 100644 --- a/src/npair_skip_size.h +++ b/src/npair_skip_size.h @@ -41,4 +41,8 @@ class NPairSkipSize : public NPair { /* ERROR/WARNING messages: +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + */ diff --git a/src/npair_skip_size_off2on.h b/src/npair_skip_size_off2on.h index dab32f04ff..59fc0878ef 100644 --- a/src/npair_skip_size_off2on.h +++ b/src/npair_skip_size_off2on.h @@ -42,4 +42,8 @@ class NPairSkipSizeOff2on : public NPair { /* ERROR/WARNING messages: +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + */ diff --git a/src/npair_skip_size_off2on_oneside.h b/src/npair_skip_size_off2on_oneside.h index 73448ca279..f7ae2338b7 100644 --- a/src/npair_skip_size_off2on_oneside.h +++ b/src/npair_skip_size_off2on_oneside.h @@ -42,4 +42,8 @@ class NPairSkipSizeOff2onOneside : public NPair { /* ERROR/WARNING messages: +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + */ diff --git a/src/ntopo.h b/src/ntopo.h index 672a82e367..9512606ba4 100644 --- a/src/ntopo.h +++ b/src/ntopo.h @@ -53,4 +53,16 @@ class NTopo : protected Pointers { /* ERROR/WARNING messages: +E: Bond extent > half of periodic box length + +UNDOCUMENTED + +E: Angle extent > half of periodic box length + +UNDOCUMENTED + +E: Dihedral/improper extent > half of periodic box length + +UNDOCUMENTED + */ diff --git a/src/ntopo_angle_all.h b/src/ntopo_angle_all.h index fad611a1eb..8b28f6c34c 100644 --- a/src/ntopo_angle_all.h +++ b/src/ntopo_angle_all.h @@ -38,4 +38,12 @@ class NTopoAngleAll : public NTopo { /* ERROR/WARNING messages: +E: Angle atoms %d %d %d missing on proc %d at step %ld + +UNDOCUMENTED + +W: Angle atoms missing at step %ld + +UNDOCUMENTED + */ diff --git a/src/ntopo_angle_partial.h b/src/ntopo_angle_partial.h index 57ebcec558..03ee7587ca 100644 --- a/src/ntopo_angle_partial.h +++ b/src/ntopo_angle_partial.h @@ -38,4 +38,12 @@ class NTopoAnglePartial : public NTopo { /* ERROR/WARNING messages: +E: Angle atoms %d %d %d missing on proc %d at step %ld + +UNDOCUMENTED + +W: Angle atoms missing at step %ld + +UNDOCUMENTED + */ diff --git a/src/ntopo_angle_template.h b/src/ntopo_angle_template.h index fc94a07b02..19fee41e80 100644 --- a/src/ntopo_angle_template.h +++ b/src/ntopo_angle_template.h @@ -38,4 +38,12 @@ class NTopoAngleTemplate : public NTopo { /* ERROR/WARNING messages: +E: Angle atoms %d %d %d missing on proc %d at step %ld + +UNDOCUMENTED + +W: Angle atoms missing at step %ld + +UNDOCUMENTED + */ diff --git a/src/ntopo_bond_all.h b/src/ntopo_bond_all.h index 8c89d66431..6645cba7a1 100644 --- a/src/ntopo_bond_all.h +++ b/src/ntopo_bond_all.h @@ -38,4 +38,12 @@ class NTopoBondAll : public NTopo { /* ERROR/WARNING messages: +E: Bond atoms %d %d missing on proc %d at step %ld + +UNDOCUMENTED + +W: Bond atoms missing at step %ld + +UNDOCUMENTED + */ diff --git a/src/ntopo_bond_partial.h b/src/ntopo_bond_partial.h index b0a2c274b2..ec377c76bd 100644 --- a/src/ntopo_bond_partial.h +++ b/src/ntopo_bond_partial.h @@ -38,4 +38,12 @@ class NTopoBondPartial : public NTopo { /* ERROR/WARNING messages: +E: Bond atoms %d %d missing on proc %d at step %ld + +UNDOCUMENTED + +W: Bond atoms missing at step %ld + +UNDOCUMENTED + */ diff --git a/src/ntopo_bond_template.h b/src/ntopo_bond_template.h index 6d0aeb001f..8cd02e6629 100644 --- a/src/ntopo_bond_template.h +++ b/src/ntopo_bond_template.h @@ -38,4 +38,12 @@ class NTopoBondTemplate : public NTopo { /* ERROR/WARNING messages: +E: Bond atoms %d %d missing on proc %d at step %ld + +UNDOCUMENTED + +W: Bond atoms missing at step %ld + +UNDOCUMENTED + */ diff --git a/src/ntopo_dihedral_all.h b/src/ntopo_dihedral_all.h index 45a5711687..07dcaf8c9a 100644 --- a/src/ntopo_dihedral_all.h +++ b/src/ntopo_dihedral_all.h @@ -38,4 +38,12 @@ class NTopoDihedralAll : public NTopo { /* ERROR/WARNING messages: +E: Dihedral atoms %d %d %d %d missing on proc %d at step %ld + +UNDOCUMENTED + +W: Dihedral atoms missing at step %ld + +UNDOCUMENTED + */ diff --git a/src/ntopo_dihedral_partial.h b/src/ntopo_dihedral_partial.h index a71022a601..70625ed256 100644 --- a/src/ntopo_dihedral_partial.h +++ b/src/ntopo_dihedral_partial.h @@ -38,4 +38,12 @@ class NTopoDihedralPartial : public NTopo { /* ERROR/WARNING messages: +E: Dihedral atoms %d %d %d %d missing on proc %d at step %ld + +UNDOCUMENTED + +W: Dihedral atoms missing at step %ld + +UNDOCUMENTED + */ diff --git a/src/ntopo_dihedral_template.h b/src/ntopo_dihedral_template.h index c289fb6b7d..83a77f6b58 100644 --- a/src/ntopo_dihedral_template.h +++ b/src/ntopo_dihedral_template.h @@ -38,4 +38,12 @@ class NTopoDihedralTemplate : public NTopo { /* ERROR/WARNING messages: +E: Dihedral atoms %d %d %d %d missing on proc %d at step %ld + +UNDOCUMENTED + +W: Dihedral atoms missing at step %ld + +UNDOCUMENTED + */ diff --git a/src/ntopo_improper_all.h b/src/ntopo_improper_all.h index b7d9a9f049..473ada8b53 100644 --- a/src/ntopo_improper_all.h +++ b/src/ntopo_improper_all.h @@ -38,4 +38,12 @@ class NTopoImproperAll : public NTopo { /* ERROR/WARNING messages: +E: Improper atoms %d %d %d %d missing on proc %d at step %ld + +UNDOCUMENTED + +W: Improper atoms missing at step %ld + +UNDOCUMENTED + */ diff --git a/src/ntopo_improper_partial.h b/src/ntopo_improper_partial.h index 45a9673e67..797dad36e4 100644 --- a/src/ntopo_improper_partial.h +++ b/src/ntopo_improper_partial.h @@ -38,4 +38,12 @@ class NTopoImproperPartial : public NTopo { /* ERROR/WARNING messages: +E: Improper atoms %d %d %d %d missing on proc %d at step %ld + +UNDOCUMENTED + +W: Improper atoms missing at step %ld + +UNDOCUMENTED + */ diff --git a/src/ntopo_improper_template.h b/src/ntopo_improper_template.h index fc760d021e..f9539c656e 100644 --- a/src/ntopo_improper_template.h +++ b/src/ntopo_improper_template.h @@ -38,4 +38,12 @@ class NTopoImproperTemplate : public NTopo { /* ERROR/WARNING messages: +E: Improper atoms %d %d %d %d missing on proc %d at step %ld + +UNDOCUMENTED + +W: Improper atoms missing at step %ld + +UNDOCUMENTED + */ diff --git a/src/pair.h b/src/pair.h index 098563c7fe..3ce567876c 100644 --- a/src/pair.h +++ b/src/pair.h @@ -301,6 +301,10 @@ E: Pair style requires a KSpace style No kspace style is defined. +E: BUG: restartinfo=1 but no restart support in pair style + +UNDOCUMENTED + E: Cannot yet use compute tally with Kokkos This feature is not yet supported. diff --git a/src/pair_gauss.h b/src/pair_gauss.h index 901658a4c2..0380d1192a 100644 --- a/src/pair_gauss.h +++ b/src/pair_gauss.h @@ -67,7 +67,7 @@ E: Incorrect args for pair coefficients Self-explanatory. Check the input script or data file. -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. diff --git a/src/pair_hybrid.h b/src/pair_hybrid.h index 463ae00eca..202847b028 100644 --- a/src/pair_hybrid.h +++ b/src/pair_hybrid.h @@ -90,10 +90,6 @@ class PairHybrid : public Pair { /* ERROR/WARNING messages: -E: Cannot yet use pair hybrid with Kokkos - -This feature is not yet supported. - E: Illegal ... command Self-explanatory. Check the input script syntax and compare to the @@ -112,6 +108,10 @@ E: Incorrect args for pair coefficients Self-explanatory. Check the input script or data file. +E: Cannot yet use pair hybrid with Kokkos + +This feature is not yet supported. + E: Pair coeff for hybrid has invalid style Style in pair coeff must have been listed in pair_style command. diff --git a/src/pair_lj_cut_coul_wolf.h b/src/pair_lj_cut_coul_wolf.h index aa4e08f9b7..3264390ea5 100644 --- a/src/pair_lj_cut_coul_wolf.h +++ b/src/pair_lj_cut_coul_wolf.h @@ -67,4 +67,8 @@ E: Incorrect args for pair coefficients Self-explanatory. Check the input script or data file. +E: Pair style lj/cut/coul/wolf requires atom attribute q + +UNDOCUMENTED + */ diff --git a/src/pair_table.h b/src/pair_table.h index b723fd2d98..4075fc5789 100644 --- a/src/pair_table.h +++ b/src/pair_table.h @@ -77,13 +77,13 @@ class PairTable : public Pair { /* ERROR/WARNING messages: -E: Pair distance < table inner cutoff +E: Pair distance < table inner cutoff: ijtype %d %d dist %g -Two atoms are closer together than the pairwise table allows. +UNDOCUMENTED -E: Pair distance > table outer cutoff +E: Pair distance > table outer cutoff: ijtype %d %d dist %g -Two atoms are further apart than the pairwise table allows. +UNDOCUMENTED E: Illegal ... command @@ -131,6 +131,22 @@ E: Bitmapped table is incorrect length in table file Number of table entries is not a correct power of 2. +E: Premature end of file in pair 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 distance values in table with relative error\n over %g to re-computed values + +UNDOCUMENTED + +W: %d of %d lines in table were incomplete\n or could not be parsed completely + +UNDOCUMENTED + E: Invalid keyword in pair table parameters Keyword used in list of table parameters is not recognized. @@ -139,6 +155,14 @@ E: Pair table parameters did not set N List of pair table parameters must include N setting. +E: Pair distance < table inner cutoff + +Two atoms are closer together than the pairwise table allows. + +E: Pair distance > table outer cutoff + +Two atoms are further apart than the pairwise table allows. + E: Pair table cutoffs must all be equal to use with KSpace When using pair style table with a long-range KSpace solver, the diff --git a/src/pair_zero.h b/src/pair_zero.h index 4fb4747e9e..b980ed89d1 100644 --- a/src/pair_zero.h +++ b/src/pair_zero.h @@ -74,7 +74,7 @@ E: Incorrect args for pair coefficients Self-explanatory. Check the input script or data file. -E: Pair cutoff < Respa interior cutoff +U: Pair cutoff < Respa interior cutoff One or more pairwise cutoffs are too short to use with the specified rRESPA cutoffs. diff --git a/src/python.h b/src/python.h index 190fd6ddb6..afc21037fb 100644 --- a/src/python.h +++ b/src/python.h @@ -60,65 +60,69 @@ private: /* ERROR/WARNING messages: -E: Invalid python command +E: Python support missing! Compile with PYTHON package installed! + +UNDOCUMENTED + +U: Invalid python 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: Python invoke of undefined function +U: Python invoke of undefined function Cannot invoke a function that has not been previously defined. -E: Python variable does not match Python function +U: 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 +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. -E: Could not initialize embedded Python +U: Could not initialize embedded Python The main module in Python was not accessible. -E: Could not open Python file +U: Could not open Python file The specified file of Python code cannot be opened. Check that the path and name are correct. -E: Could not process Python file +U: Could not process Python file The Python code in the specified file was not run successfully by Python, probably due to errors in the Python code. -E: Could not process Python string +U: Could not process Python string The Python code in the here string was not run successfully by Python, probably due to errors in the Python code. -E: Could not find Python function +U: Could not find Python function The provided Python code was run successfully, but it not define a callable function with the required name. -E: Python function is not callable +U: Python function is not callable The provided Python code was run successfully, but it not define a callable function with the required name. -E: Could not create Python function arguments +U: Could not create Python function arguments This is an internal Python error, possibly because the number of inputs to the function is too large. -E: Could not evaluate Python function input variable +U: Could not evaluate Python function input variable Self-explanatory. -E: Python function evaluation failed +U: 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 diff --git a/src/read_data.h b/src/read_data.h index b85ed67dcd..9b7ca66259 100644 --- a/src/read_data.h +++ b/src/read_data.h @@ -124,10 +124,13 @@ 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: Read data add offset is too big +E: Read data add atomID offset is too big -It cannot be larger than the size of atom IDs, e.g. the maximum 32-bit -integer. +UNDOCUMENTED + +E: Read data add molID offset is too big + +UNDOCUMENTED E: Non-zero read_data shift z value for 2d simulation @@ -149,6 +152,10 @@ E: No impropers allowed with this atom style Self-explanatory. +E: No bonded interactions allowed with this atom style + +UNDOCUMENTED + E: Fix ID for read_data does not exist Self-explanatory. @@ -557,4 +564,9 @@ 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: Read data add offset is too big + +It cannot be larger than the size of atom IDs, e.g. the maximum 32-bit +integer. + */ diff --git a/src/read_dump.h b/src/read_dump.h index 8322ac0157..3fc554b511 100644 --- a/src/read_dump.h +++ b/src/read_dump.h @@ -117,9 +117,9 @@ E: Unknown dump reader style The choice of dump reader style via the format keyword is unknown. -E: No box information in dump. You have to use 'box no' +E: No box information in dump, must use 'box no' -Self-explanatory. +UNDOCUMENTED E: Read_dump triclinic status does not match simulation @@ -157,4 +157,16 @@ E: If read_dump purges it cannot replace or trim These operations are not compatible. See the read_dump doc page for details. +E: Read_dump cannot use 'add keep' without atom IDs + +UNDOCUMENTED + +E: Cannot add atoms if dump file does not store atom type + +UNDOCUMENTED + +U: No box information in dump. You have to use 'box no' + +Self-explanatory. + */ diff --git a/src/region_cone.h b/src/region_cone.h index 62b2d05a8d..4aa9e568ac 100644 --- a/src/region_cone.h +++ b/src/region_cone.h @@ -49,6 +49,10 @@ class RegCone : public Region { /* ERROR/WARNING messages: +E: Invalid region cone open setting + +UNDOCUMENTED + E: Illegal ... command Self-explanatory. Check the input script syntax and compare to the diff --git a/src/region_cylinder.h b/src/region_cylinder.h index e065c7d3f1..a6b513b2d7 100644 --- a/src/region_cylinder.h +++ b/src/region_cylinder.h @@ -57,6 +57,10 @@ class RegCylinder : public Region { /* ERROR/WARNING messages: +E: Invalid region cylinder open setting + +UNDOCUMENTED + E: Illegal ... command Self-explanatory. Check the input script syntax and compare to the diff --git a/src/reset_ids.h b/src/reset_ids.h index 065f440a8b..d146651cc9 100644 --- a/src/reset_ids.h +++ b/src/reset_ids.h @@ -39,4 +39,20 @@ class ResetIDs : protected Pointers { /* ERROR/WARNING messages: +E: Reset_ids command before simulation box is defined + +UNDOCUMENTED + +E: Illegal ... command + +UNDOCUMENTED + +E: Cannot use reset_ids unless atoms have IDs + +UNDOCUMENTED + +E: Reset_ids missing %d bond topology atom IDs - use comm_modify cutoff + +UNDOCUMENTED + */ diff --git a/src/run.h b/src/run.h index 727b23f1c4..5578ea9598 100644 --- a/src/run.h +++ b/src/run.h @@ -69,6 +69,10 @@ E: Run command stop value is before end of run Self-explanatory. +E: Run flag 'pre no' not compatible with r-RESPA + +UNDOCUMENTED + E: Too many timesteps The cumulative timesteps must fit in a 64-bit integer. diff --git a/src/set.h b/src/set.h index 1412fb9a0d..e6ba2a3bce 100644 --- a/src/set.h +++ b/src/set.h @@ -93,6 +93,10 @@ E: Invalid density in set command Density must be > 0.0. +E: Density/disc option requires 2d simulation + +UNDOCUMENTED + E: Invalid volume in set command Volume must be > 0.0. @@ -113,6 +117,18 @@ E: Cannot set meso/rho for this atom style Self-explanatory. +E: Cannot set edpd/temp for this atom style + +UNDOCUMENTED + +E: Cannot set edpd/cv for this atom style + +UNDOCUMENTED + +E: Cannot set cc for this atom style + +UNDOCUMENTED + E: Cannot set smd/mass/density for this atom style Self-explanatory. @@ -149,6 +165,10 @@ E: Set region ID does not exist Region ID specified in set command does not exist. +W: Changing a property of atoms in rigid bodies that has no effect unless rigid bodies are rebuild + +UNDOCUMENTED + E: Invalid mass in set command Self-explanatory. diff --git a/src/thermo.h b/src/thermo.h index de2a46dec4..8023a8867c 100644 --- a/src/thermo.h +++ b/src/thermo.h @@ -357,9 +357,13 @@ E: Thermo custom variable is not equal-style variable Only equal-style variables can be output with thermodynamics, not atom-style variables. -E: Thermo custom variable cannot be indexed +E: Thermo custom variable is not vector-style variable -Self-explanatory. +UNDOCUMENTED + +E: Thermo custom variable cannot have two indices + +UNDOCUMENTED E: Unknown keyword in thermo_style custom command @@ -402,4 +406,8 @@ 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: Thermo custom variable cannot be indexed + +Self-explanatory. + */ diff --git a/src/timer.h b/src/timer.h index 6159180faf..a12d04311f 100644 --- a/src/timer.h +++ b/src/timer.h @@ -111,6 +111,10 @@ class Timer : protected Pointers { /* ERROR/WARNING messages: +W: Wall time limit reached + +UNDOCUMENTED + E: Illegal ... command Self-explanatory. Check the input script syntax and compare to the diff --git a/src/universe.h b/src/universe.h index 017f869f5e..4ff4d7dd14 100644 --- a/src/universe.h +++ b/src/universe.h @@ -79,4 +79,8 @@ E: Invalid command-line argument One or more command-line arguments is invalid. Check the syntax of the command you are using to launch LAMMPS. +E: Invalid partition string '%s' + +UNDOCUMENTED + */ diff --git a/src/variable.h b/src/variable.h index 428c4edce8..9dcbaebd4f 100644 --- a/src/variable.h +++ b/src/variable.h @@ -187,17 +187,17 @@ E: LAMMPS is not built with Python embedded This is done by including the PYTHON package before LAMMPS is built. This is required to use python-style variables. -E: Variable name must be alphanumeric or underscore characters +E: Variable name '%s' must have only alphanumeric characters or underscore -Self-explanatory. +UNDOCUMENTED -E: Invalid variable in next command +E: Invalid variable '%s' in next command -Self-explanatory. +UNDOCUMENTED -E: All variables in next command must be same style +E: All variables in next command must have same style -Self-explanatory. +UNDOCUMENTED E: Invalid variable style with next command @@ -208,115 +208,9 @@ E: Next command must list all universe and uloop variables This is to insure they stay in sync. -E: Variable has circular dependency +E: Python variable '%s' does not match Python function -A circular dependency is when variable "a" in used by variable "b" and -variable "b" is also used by variable "a". Circular dependencies with -longer chains of dependence are also not allowed. - -E: Python variable does not match Python function - -This matching is defined by the python-style variable and the python -command. - -E: Python variable has no function - -No python command was used to define the function associated with the -python-style variable. - -E: Invalid syntax in variable formula - -Self-explanatory. - -E: Variable evaluation before simulation box is defined - -Cannot evaluate a compute or fix or atom-based value in a variable -before the simulation has been setup. - -E: Invalid compute ID in variable formula - -The compute is not recognized. - -E: Compute used in variable between runs is not current - -Computes cannot be invoked by a variable in between runs. Thus they -must have been evaluated on the last timestep of the previous run in -order for their value(s) to be accessed. See the doc page for the -variable command for more info. - -E: Variable formula compute vector is accessed out-of-range - -Self-explanatory. - -E: Variable formula compute array is accessed out-of-range - -Self-explanatory. - -E: Per-atom compute in equal-style variable formula - -Equal-style variables cannot use per-atom quantities. - -E: Mismatched compute in variable formula - -A compute is referenced incorrectly or a compute that produces per-atom -values is used in an equal-style variable formula. - -E: Invalid fix ID in variable formula - -The fix is not recognized. - -E: Fix in variable not computed at compatible time - -Fixes generate their values on specific timesteps. The variable is -requesting the values on a non-allowed timestep. - -E: Variable formula fix vector is accessed out-of-range - -Self-explanatory. - -E: Variable formula fix array is accessed out-of-range - -Self-explanatory. - -E: Per-atom fix in equal-style variable formula - -Equal-style variables cannot use per-atom quantities. - -E: Mismatched fix in variable formula - -A fix is referenced incorrectly or a fix that produces per-atom -values is used in an equal-style variable formula. - -E: Invalid variable name in variable formula - -Variable name is not recognized. - -E: Invalid variable evaluation in variable formula - -A variable used in a formula could not be evaluated. - -E: Atom-style variable in equal-style variable formula - -Atom-style variables generate one value per atom which is not allowed -in an equal-style variable. - -E: Atomfile-style variable in equal-style variable formula - -Self-explanatory. - -E: Mismatched variable in variable formula - -A variable is referenced incorrectly or an atom-style variable that -produces per-atom values is used in an equal-style variable -formula. - -E: Invalid math/group/special function in variable formula - -Self-explanatory. - -E: Invalid thermo keyword in variable formula - -The keyword is not recognized. +UNDOCUMENTED E: Divide by 0 in variable formula @@ -367,78 +261,18 @@ E: Empty brackets in variable There is no variable syntax that uses empty brackets. Check the variable doc page. +E: Invalid variable name in variable formula + +Variable name is not recognized. + +E: Invalid variable evaluation in variable formula + +A variable used in a formula could not be evaluated. + E: Index between variable brackets must be positive Self-explanatory. -E: Cannot use ramp in variable formula between runs - -This is because the ramp() function is time dependent. - -E: Cannot use vdisplace in variable formula between runs - -This is a function of elapsed time. - -E: Cannot use swiggle in variable formula between runs - -This is a function of elapsed time. - -E: Cannot use cwiggle in variable formula between runs - -This is a function of elapsed time. - -E: Group ID in variable formula does not exist - -Self-explanatory. - -E: Invalid group function in variable formula - -Group function is not recognized. - -E: Region ID in variable formula does not exist - -Self-explanatory. - -E: Invalid special function in variable formula - -Self-explanatory. - -E: Gmask function in equal-style variable formula - -Gmask is per-atom operation. - -E: Rmask function in equal-style variable formula - -Rmask is per-atom operation. - -E: Grmask function in equal-style variable formula - -Grmask is per-atom operation. - -E: Variable ID in variable formula does not exist - -Self-explanatory. - -E: Atomfile variable in equal-style variable formula - -Self-explanatory. - -E: Invalid variable style in special function next - -Only file-style or atomfile-style variables can be used with next(). - -E: Invalid is_active() function in variable formula - -Self-explanatory. - -E: Invalid is_available() function in variable formula - -Self-explanatory. - -E: Invalid is_defined() function in variable formula - -Self-explanatory. - E: Indexed per-atom vector in variable formula without atom map Accessing a value from an atom vector requires the ability to lookup @@ -484,4 +318,186 @@ E: Invalid atom ID in variable file Self-explanatory. +U: Variable name must be alphanumeric or underscore characters + +Self-explanatory. + +U: Invalid variable in next command + +Self-explanatory. + +U: All variables in next command must be same style + +Self-explanatory. + +U: Variable has circular dependency + +A circular dependency is when variable "a" in used by variable "b" and +variable "b" is also used by variable "a". Circular dependencies with +longer chains of dependence are also not allowed. + +U: Python variable does not match Python function + +This matching is defined by the python-style variable and the python +command. + +U: Python variable has no function + +No python command was used to define the function associated with the +python-style variable. + +U: Invalid syntax in variable formula + +Self-explanatory. + +U: Variable evaluation before simulation box is defined + +Cannot evaluate a compute or fix or atom-based value in a variable +before the simulation has been setup. + +U: Invalid compute ID in variable formula + +The compute is not recognized. + +U: Compute used in variable between runs is not current + +Computes cannot be invoked by a variable in between runs. Thus they +must have been evaluated on the last timestep of the previous run in +order for their value(s) to be accessed. See the doc page for the +variable command for more info. + +U: Variable formula compute vector is accessed out-of-range + +Self-explanatory. + +U: Variable formula compute array is accessed out-of-range + +Self-explanatory. + +U: Per-atom compute in equal-style variable formula + +Equal-style variables cannot use per-atom quantities. + +U: Mismatched compute in variable formula + +A compute is referenced incorrectly or a compute that produces per-atom +values is used in an equal-style variable formula. + +U: Invalid fix ID in variable formula + +The fix is not recognized. + +U: Fix in variable not computed at compatible time + +Fixes generate their values on specific timesteps. The variable is +requesting the values on a non-allowed timestep. + +U: Variable formula fix vector is accessed out-of-range + +Self-explanatory. + +U: Variable formula fix array is accessed out-of-range + +Self-explanatory. + +U: Per-atom fix in equal-style variable formula + +Equal-style variables cannot use per-atom quantities. + +U: Mismatched fix in variable formula + +A fix is referenced incorrectly or a fix that produces per-atom +values is used in an equal-style variable formula. + +U: Atom-style variable in equal-style variable formula + +Atom-style variables generate one value per atom which is not allowed +in an equal-style variable. + +U: Atomfile-style variable in equal-style variable formula + +Self-explanatory. + +U: Mismatched variable in variable formula + +A variable is referenced incorrectly or an atom-style variable that +produces per-atom values is used in an equal-style variable +formula. + +U: Invalid math/group/special function in variable formula + +Self-explanatory. + +U: Invalid thermo keyword in variable formula + +The keyword is not recognized. + +U: Cannot use ramp in variable formula between runs + +This is because the ramp() function is time dependent. + +U: Cannot use vdisplace in variable formula between runs + +This is a function of elapsed time. + +U: Cannot use swiggle in variable formula between runs + +This is a function of elapsed time. + +U: Cannot use cwiggle in variable formula between runs + +This is a function of elapsed time. + +U: Group ID in variable formula does not exist + +Self-explanatory. + +U: Invalid group function in variable formula + +Group function is not recognized. + +U: Region ID in variable formula does not exist + +Self-explanatory. + +U: Invalid special function in variable formula + +Self-explanatory. + +U: Gmask function in equal-style variable formula + +Gmask is per-atom operation. + +U: Rmask function in equal-style variable formula + +Rmask is per-atom operation. + +U: Grmask function in equal-style variable formula + +Grmask is per-atom operation. + +U: Variable ID in variable formula does not exist + +Self-explanatory. + +U: Atomfile variable in equal-style variable formula + +Self-explanatory. + +U: Invalid variable style in special function next + +Only file-style or atomfile-style variables can be used with next(). + +U: Invalid is_active() function in variable formula + +Self-explanatory. + +U: Invalid is_available() function in variable formula + +Self-explanatory. + +U: Invalid is_defined() function in variable formula + +Self-explanatory. + */ diff --git a/src/velocity.h b/src/velocity.h index f59336dcec..e14c0d0d1c 100644 --- a/src/velocity.h +++ b/src/velocity.h @@ -76,6 +76,10 @@ E: Could not find velocity group ID A group ID used in the velocity command does not exist. +W: Changing velocities of atoms in rigid bodies. This has no effect unless rigid bodies are rebuild + +UNDOCUMENTED + W: Mismatch between velocity and compute groups The temperature computation used by the velocity command will not be diff --git a/src/write_coeff.h b/src/write_coeff.h index 9b272b40fc..9228e879bc 100644 --- a/src/write_coeff.h +++ b/src/write_coeff.h @@ -38,9 +38,9 @@ class WriteCoeff : protected Pointers { /* ERROR/WARNING messages: -E: write_coeff command before simulation box is defined +E: Write_coeff command before simulation box is defined -Self-explanatory. +UNDOCUMENTED E: Illegal ... command @@ -48,14 +48,18 @@ 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: Atom count is inconsistent, cannot write data file - -The sum of atoms across processors does not equal the global number -of atoms. Probably some atoms have been lost. - E: Cannot open coeff file %s The specified file cannot be opened. Check that the path and name are correct. +U: write_coeff command before simulation box is defined + +Self-explanatory. + +U: Atom count is inconsistent, cannot write data file + +The sum of atoms across processors does not equal the global number +of atoms. Probably some atoms have been lost. + */