From fffe7f95b7611897d3c4e3ba5d01dfa39bc8fcbe Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Wed, 29 Jan 2014 18:40:05 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11379
f3b2605a-c512-4ea7-a41b-209d697bcdaa
---
src/CLASS2/dihedral_class2.h | 6 +-
src/CLASS2/improper_class2.h | 6 +-
src/GPU/pair_sw_gpu.h | 26 ++-
src/GRANULAR/fix_pour.h | 282 ++++++++++++++++++-------
src/MANYBODY/pair_lcbop.h | 74 ++++---
src/MANYBODY/pair_nb3b_harmonic.h | 60 ++++--
src/MANYBODY/pair_tersoff_mod.h | 24 ++-
src/MISC/fix_efield.h | 42 +++-
src/MISC/pair_nm_cut.h | 48 +++--
src/MOLECULE/atom_vec_angle.h | 4 -
src/MOLECULE/atom_vec_template.cpp | 2 +-
src/MOLECULE/atom_vec_template.h | 22 +-
src/MOLECULE/bond_fene.h | 10 +-
src/MOLECULE/bond_fene_expand.h | 10 +-
src/MOLECULE/bond_quartic.h | 3 +-
src/MOLECULE/dihedral_charmm.h | 10 +-
src/MOLECULE/dihedral_harmonic.h | 10 +-
src/MOLECULE/dihedral_helix.h | 10 +-
src/MOLECULE/dihedral_multi_harmonic.h | 10 +-
src/MOLECULE/dihedral_opls.h | 10 +-
src/MOLECULE/improper_cvff.h | 6 +-
src/MOLECULE/improper_harmonic.h | 6 +-
src/MOLECULE/improper_umbrella.h | 6 +-
src/MPIIO/dump_atom_mpiio.cpp | 14 +-
src/MPIIO/dump_atom_mpiio.h | 5 +-
src/MPIIO/dump_custom_mpiio.cpp | 14 +-
src/MPIIO/dump_custom_mpiio.h | 37 +++-
src/MPIIO/dump_xyz_mpiio.h | 82 +++----
src/RIGID/compute_erotate_rigid.cpp | 2 +-
src/RIGID/compute_erotate_rigid.h | 8 +-
src/RIGID/compute_ke_rigid.h | 4 +-
src/RIGID/fix_rigid_small.h | 6 +-
src/RIGID/fix_shake.h | 18 +-
src/SRD/fix_srd.h | 18 +-
src/VORONOI/compute_voronoi_atom.cpp | 28 ++-
src/VORONOI/compute_voronoi_atom.h | 39 +---
src/atom.h | 21 +-
src/atom_vec_hybrid.h | 2 +-
src/citeme.cpp | 2 +-
src/citeme.h | 7 +-
src/compute.h | 4 +-
src/compute_property_atom.h | 6 +-
src/compute_property_local.h | 2 +-
src/compute_vacf.h | 4 -
src/create_atoms.h | 26 ++-
src/create_box.h | 62 +++---
src/domain.cpp | 4 +-
src/domain.h | 10 +-
src/dump.cpp | 4 +-
src/dump.h | 21 +-
src/dump_cfg.h | 7 +-
src/dump_custom.cpp | 2 +-
src/dump_custom.h | 8 +-
src/fix_restrain.h | 6 +-
src/neigh_bond.h | 24 ++-
src/write_dump.h | 38 ++--
56 files changed, 765 insertions(+), 457 deletions(-)
diff --git a/src/CLASS2/dihedral_class2.h b/src/CLASS2/dihedral_class2.h
index 56156c84f6..e32005e991 100644
--- a/src/CLASS2/dihedral_class2.h
+++ b/src/CLASS2/dihedral_class2.h
@@ -58,7 +58,7 @@ class DihedralClass2 : public Dihedral {
/* ERROR/WARNING messages:
-W: Dihedral problem: %d %ld
+W: Dihedral problem: %d %ld %ld %ld %ld %ld
UNDOCUMENTED
@@ -70,6 +70,10 @@ E: Incorrect args for dihedral coefficients
Self-explanatory. Check the input script or data file.
+U: Dihedral problem: %d %ld
+
+UNDOCUMENTED
+
U: Dihedral problem: %d %ld %d %d %d %d
Conformation of the 4 listed dihedral atoms is extreme; you may want
diff --git a/src/CLASS2/improper_class2.h b/src/CLASS2/improper_class2.h
index 63e5525cc6..bc64504db0 100644
--- a/src/CLASS2/improper_class2.h
+++ b/src/CLASS2/improper_class2.h
@@ -53,7 +53,7 @@ class ImproperClass2 : public Improper {
/* ERROR/WARNING messages:
-W: Improper problem: %d %ld
+W: Improper problem: %d %ld %ld %ld %ld %ld
UNDOCUMENTED
@@ -61,6 +61,10 @@ E: Incorrect args for improper coefficients
Self-explanatory. Check the input script or data file.
+U: Improper problem: %d %ld
+
+UNDOCUMENTED
+
U: Improper problem: %d %ld %d %d %d %d
Conformation of the 4 listed improper atoms is extreme; you may want
diff --git a/src/GPU/pair_sw_gpu.h b/src/GPU/pair_sw_gpu.h
index 072ae6428d..b22cb86a38 100644
--- a/src/GPU/pair_sw_gpu.h
+++ b/src/GPU/pair_sw_gpu.h
@@ -49,27 +49,43 @@ class PairSWGPU : public PairSW {
/* ERROR/WARNING messages:
-E: Illegal ... command
+E: Insufficient memory on accelerator
+
+UNDOCUMENTED
+
+E: Pair style sw/gpu requires atom IDs
+
+UNDOCUMENTED
+
+E: Pair style sw/gpu requires newton pair off
+
+UNDOCUMENTED
+
+E: All pair coeffs are not set
+
+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: Incorrect args for pair coefficients
+U: Incorrect args for pair coefficients
Self-explanatory. Check the input script or data file.
-E: No matching element in ADP potential file
+U: No matching element in ADP potential file
The ADP potential file does not contain elements that match the
requested elements.
-E: Cannot open ADP potential file %s
+U: Cannot open ADP potential file %s
The specified ADP potential file cannot be opened. Check that the
path and name are correct.
-E: Incorrect element names in ADP potential file
+U: Incorrect element names in ADP potential file
The element names in the ADP file do not match those requested.
diff --git a/src/GRANULAR/fix_pour.h b/src/GRANULAR/fix_pour.h
index b55a83c9a1..39df74b88a 100644
--- a/src/GRANULAR/fix_pour.h
+++ b/src/GRANULAR/fix_pour.h
@@ -86,327 +86,463 @@ 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 read_data after simulation box is defined
+E: Fix pour requires atom attributes radius, rmass
+
+UNDOCUMENTED
+
+E: Invalid atom type in fix pour command
+
+UNDOCUMENTED
+
+E: Must specify a region in fix pour
+
+UNDOCUMENTED
+
+E: Fix pour region does not support a bounding box
+
+UNDOCUMENTED
+
+E: Fix pour region cannot be dynamic
+
+UNDOCUMENTED
+
+E: Insertion region extends outside simulation box
+
+UNDOCUMENTED
+
+E: Must use a z-axis cylinder with fix pour
+
+UNDOCUMENTED
+
+E: Must use a block or cylinder region with fix pour
+
+UNDOCUMENTED
+
+E: Must use a block region with fix pour for 2d simulations
+
+UNDOCUMENTED
+
+E: Cannot use fix_pour unless atoms have IDs
+
+UNDOCUMENTED
+
+E: Fix pour molecule must have coordinates
+
+UNDOCUMENTED
+
+E: Fix pour molecule must have atom types
+
+UNDOCUMENTED
+
+E: Invalid atom type in fix pour mol command
+
+UNDOCUMENTED
+
+E: Fix pour molecule template ID must be same as atom style template ID
+
+UNDOCUMENTED
+
+E: Cannot use fix pour rigid and not molecule
+
+UNDOCUMENTED
+
+E: Cannot use fix pour shake and not molecule
+
+UNDOCUMENTED
+
+E: Cannot use fix pour rigid and shake
+
+UNDOCUMENTED
+
+E: No fix gravity defined for fix pour
+
+UNDOCUMENTED
+
+E: Cannot use fix pour with triclinic box
+
+UNDOCUMENTED
+
+E: Gravity must point in -z to use with fix pour in 3d
+
+UNDOCUMENTED
+
+E: Gravity must point in -y to use with fix pour in 2d
+
+UNDOCUMENTED
+
+E: Gravity changed since fix pour was created
+
+UNDOCUMENTED
+
+E: Fix pour rigid fix does not exist
+
+UNDOCUMENTED
+
+E: Fix pour and fix rigid/small not using same molecule template ID
+
+UNDOCUMENTED
+
+E: Fix pour shake fix does not exist
+
+UNDOCUMENTED
+
+E: Fix pour and fix shake not using same molecule template ID
+
+UNDOCUMENTED
+
+W: Less insertions than requested
+
+UNDOCUMENTED
+
+E: Too many total atoms
+
+UNDOCUMENTED
+
+E: New atom IDs exceed maximum allowed ID
+
+UNDOCUMENTED
+
+E: Fix pour region ID does not exist
+
+UNDOCUMENTED
+
+E: Molecule template ID for fix pour does not exist
+
+UNDOCUMENTED
+
+W: Molecule template for fix pour has multiple molecules
+
+UNDOCUMENTED
+
+E: Fix pour polydisperse fractions do not sum to 1.0
+
+UNDOCUMENTED
+
+E: Cannot change timestep with fix pour
+
+UNDOCUMENTED
+
+U: Cannot read_data after simulation box is defined
The read_data command cannot be used after a read_data,
read_restart, or create_box command.
-E: Cannot run 2d simulation with nonperiodic Z dimension
+U: Cannot run 2d simulation with nonperiodic Z dimension
Use the boundary command to make the z dimension periodic in order to
run a 2d simulation.
-E: Fix ID for read_data does not exist
+U: Fix ID for read_data does not exist
Self-explanatory.
-E: Must read Atoms before Velocities
+U: Must read Atoms before Velocities
The Atoms section of a data file must come before a Velocities
section.
-E: Invalid data file section: Bonds
+U: Invalid data file section: Bonds
Atom style does not allow bonds.
-E: Must read Atoms before Bonds
+U: Must read Atoms before Bonds
The Atoms section of a data file must come before a Bonds section.
-E: Invalid data file section: Angles
+U: Invalid data file section: Angles
Atom style does not allow angles.
-E: Must read Atoms before Angles
+U: Must read Atoms before Angles
The Atoms section of a data file must come before an Angles section.
-E: Invalid data file section: Dihedrals
+U: Invalid data file section: Dihedrals
Atom style does not allow dihedrals.
-E: Must read Atoms before Dihedrals
+U: Must read Atoms before Dihedrals
The Atoms section of a data file must come before a Dihedrals section.
-E: Invalid data file section: Impropers
+U: Invalid data file section: Impropers
Atom style does not allow impropers.
-E: Must read Atoms before Impropers
+U: Must read Atoms before Impropers
The Atoms section of a data file must come before an Impropers
section.
-E: Invalid data file section: Ellipsoids
+U: Invalid data file section: Ellipsoids
Atom style does not allow ellipsoids.
-E: Must read Atoms before Ellipsoids
+U: Must read Atoms before Ellipsoids
The Atoms section of a data file must come before a Ellipsoids
section.
-E: Invalid data file section: Lines
+U: Invalid data file section: Lines
Atom style does not allow lines.
-E: Must read Atoms before Lines
+U: Must read Atoms before Lines
The Atoms section of a data file must come before a Lines section.
-E: Invalid data file section: Triangles
+U: Invalid data file section: Triangles
Atom style does not allow triangles.
-E: Must read Atoms before Triangles
+U: Must read Atoms before Triangles
The Atoms section of a data file must come before a Triangles section.
-E: Invalid data file section: Bodies
+U: Invalid data file section: Bodies
Atom style does not allow bodies.
-E: Must read Atoms before Bodies
+U: Must read Atoms before Bodies
The Atoms section of a data file must come before a Bodies section.
-E: Must define pair_style before Pair Coeffs
+U: Must define pair_style before Pair Coeffs
Must use a pair_style command before reading a data file that defines
Pair Coeffs.
-E: Must define pair_style before PairIJ Coeffs
+U: Must define pair_style before PairIJ Coeffs
UNDOCUMENTED
-E: Invalid data file section: Bond Coeffs
+U: Invalid data file section: Bond Coeffs
Atom style does not allow bonds.
-E: Must define bond_style before Bond Coeffs
+U: Must define bond_style before Bond Coeffs
Must use a bond_style command before reading a data file that
defines Bond Coeffs.
-E: Invalid data file section: Angle Coeffs
+U: Invalid data file section: Angle Coeffs
Atom style does not allow angles.
-E: Must define angle_style before Angle Coeffs
+U: Must define angle_style before Angle Coeffs
Must use an angle_style command before reading a data file that
defines Angle Coeffs.
-E: Invalid data file section: Dihedral Coeffs
+U: Invalid data file section: Dihedral Coeffs
Atom style does not allow dihedrals.
-E: Must define dihedral_style before Dihedral Coeffs
+U: Must define dihedral_style before Dihedral Coeffs
Must use a dihedral_style command before reading a data file that
defines Dihedral Coeffs.
-E: Invalid data file section: Improper Coeffs
+U: Invalid data file section: Improper Coeffs
Atom style does not allow impropers.
-E: Must define improper_style before Improper Coeffs
+U: Must define improper_style before Improper Coeffs
Must use an improper_style command before reading a data file that
defines Improper Coeffs.
-E: Invalid data file section: BondBond Coeffs
+U: Invalid data file section: BondBond Coeffs
Atom style does not allow angles.
-E: Must define angle_style before BondBond Coeffs
+U: Must define angle_style before BondBond Coeffs
Must use an angle_style command before reading a data file that
defines Angle Coeffs.
-E: Invalid data file section: BondAngle Coeffs
+U: Invalid data file section: BondAngle Coeffs
Atom style does not allow angles.
-E: Must define angle_style before BondAngle Coeffs
+U: Must define angle_style before BondAngle Coeffs
Must use an angle_style command before reading a data file that
defines Angle Coeffs.
-E: Invalid data file section: MiddleBondTorsion Coeffs
+U: Invalid data file section: MiddleBondTorsion Coeffs
Atom style does not allow dihedrals.
-E: Must define dihedral_style before MiddleBondTorsion Coeffs
+U: Must define dihedral_style before MiddleBondTorsion Coeffs
Must use a dihedral_style command before reading a data file that
defines MiddleBondTorsion Coeffs.
-E: Invalid data file section: EndBondTorsion Coeffs
+U: Invalid data file section: EndBondTorsion Coeffs
Atom style does not allow dihedrals.
-E: Must define dihedral_style before EndBondTorsion Coeffs
+U: Must define dihedral_style before EndBondTorsion Coeffs
Must use a dihedral_style command before reading a data file that
defines EndBondTorsion Coeffs.
-E: Invalid data file section: AngleTorsion Coeffs
+U: Invalid data file section: AngleTorsion Coeffs
Atom style does not allow dihedrals.
-E: Must define dihedral_style before AngleTorsion Coeffs
+U: Must define dihedral_style before AngleTorsion Coeffs
Must use a dihedral_style command before reading a data file that
defines AngleTorsion Coeffs.
-E: Invalid data file section: AngleAngleTorsion Coeffs
+U: Invalid data file section: AngleAngleTorsion Coeffs
Atom style does not allow dihedrals.
-E: Must define dihedral_style before AngleAngleTorsion Coeffs
+U: Must define dihedral_style before AngleAngleTorsion Coeffs
Must use a dihedral_style command before reading a data file that
defines AngleAngleTorsion Coeffs.
-E: Invalid data file section: BondBond13 Coeffs
+U: Invalid data file section: BondBond13 Coeffs
Atom style does not allow dihedrals.
-E: Must define dihedral_style before BondBond13 Coeffs
+U: Must define dihedral_style before BondBond13 Coeffs
Must use a dihedral_style command before reading a data file that
defines BondBond13 Coeffs.
-E: Invalid data file section: AngleAngle Coeffs
+U: Invalid data file section: AngleAngle Coeffs
Atom style does not allow impropers.
-E: Must define improper_style before AngleAngle Coeffs
+U: Must define improper_style before AngleAngle Coeffs
Must use an improper_style command before reading a data file that
defines AngleAngle Coeffs.
-E: Unknown identifier in data file: %s
+U: Unknown identifier in data file: %s
A section of the data file cannot be read by LAMMPS.
-E: No atoms in data file
+U: No atoms in data file
The header of the data file indicated that atoms would be included,
but they were not present.
-E: Needed molecular topology not in data file
+U: Needed molecular topology not in data file
UNDOCUMENTED
-E: Needed bonus data not in data file
+U: Needed bonus data not in data file
Some atom styles require bonus data. See the read_data doc page for
details.
-E: Unexpected end of data file
+U: Unexpected end of data file
LAMMPS hit the end of the data file while attempting to read a
section. Something is wrong with the format of the data file.
-E: No ellipsoids allowed with this atom style
+U: No ellipsoids allowed with this atom style
Self-explanatory. Check data file.
-E: No lines allowed with this atom style
+U: No lines allowed with this atom style
Self-explanatory. Check data file.
-E: No triangles allowed with this atom style
+U: No triangles allowed with this atom style
Self-explanatory. Check data file.
-E: No bodies allowed with this atom style
+U: No bodies allowed with this atom style
Self-explanatory. Check data file.
-E: System in data file is too big
+U: System in data file is too big
See the setting for bigint in the src/lmptype.h file.
-E: No bonds allowed with this atom style
+U: No bonds allowed with this atom style
Self-explanatory. Check data file.
-E: No angles allowed with this atom style
+U: No angles allowed with this atom style
Self-explanatory. Check data file.
-E: No dihedrals allowed with this atom style
+U: No dihedrals allowed with this atom style
Self-explanatory. Check data file.
-E: No impropers allowed with this atom style
+U: No impropers allowed with this atom style
Self-explanatory. Check data file.
-E: Bonds defined but no bond types
+U: Bonds defined but no bond types
The data file header lists bonds but no bond types.
-E: Angles defined but no angle types
+U: Angles defined but no angle types
The data file header lists angles but no angle types.
-E: Dihedrals defined but no dihedral types
+U: Dihedrals defined but no dihedral types
The data file header lists dihedrals but no dihedral types.
-E: Impropers defined but no improper types
+U: Impropers defined but no improper types
The data file header lists improper but no improper types.
-E: No molecule topology allowed with atom style template
+U: No molecule topology allowed with atom style template
UNDOCUMENTED
-E: Did not assign all atoms correctly
+U: Did not assign all atoms correctly
Atoms read in from a data file were not assigned correctly to
processors. This is likely due to some atom coordinates being
outside a non-periodic simulation box.
-E: Bonds assigned incorrectly
+U: Bonds assigned incorrectly
Bonds read in from the data file were not assigned correctly to atoms.
This means there is something invalid about the topology definitions.
-E: Angles assigned incorrectly
+U: Angles assigned incorrectly
Angles read in from the data file were not assigned correctly to
atoms. This means there is something invalid about the topology
definitions.
-E: Dihedrals assigned incorrectly
+U: Dihedrals assigned incorrectly
Dihedrals read in from the data file were not assigned correctly to
atoms. This means there is something invalid about the topology
definitions.
-E: Impropers assigned incorrectly
+U: Impropers assigned incorrectly
Impropers read in from the data file were not assigned correctly to
atoms. This means there is something invalid about the topology
definitions.
-E: Too many lines in one body in data file - boost MAXBODY
+U: Too many lines in one body in data file - boost MAXBODY
MAXBODY is a setting at the top of the src/read_data.cpp file.
Set it larger and re-compile the code.
-E: Cannot open gzipped file
+U: Cannot open gzipped file
LAMMPS was compiled without support for reading and writing gzipped
files through a pipeline to the gzip program with -DLAMMPS_GZIP.
-E: Cannot open file %s
+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
diff --git a/src/MANYBODY/pair_lcbop.h b/src/MANYBODY/pair_lcbop.h
index f6974f7481..16ed0ac6d1 100644
--- a/src/MANYBODY/pair_lcbop.h
+++ b/src/MANYBODY/pair_lcbop.h
@@ -169,78 +169,102 @@ class PairLCBOP : public Pair {
/* ERROR/WARNING messages:
-E: Variable name for thermo every does not exist
+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: Incorrect args for pair coefficients
+
+UNDOCUMENTED
+
+E: Pair style LCBOP requires atom IDs
+
+UNDOCUMENTED
+
+E: Pair style LCBOP requires newton pair on
+
+UNDOCUMENTED
+
+E: All pair coeffs are not set
+
+UNDOCUMENTED
+
+E: Neighbor list overflow, boost neigh_modify one
+
+UNDOCUMENTED
+
+E: Cannot open LCBOP potential file %s
+
+UNDOCUMENTED
+
+U: Variable name for thermo every does not exist
Self-explanatory.
-E: Variable for thermo every is invalid style
+U: Variable for thermo every is invalid style
Only equal-style variables can be used.
-E: Variable name for dump every does not exist
+U: Variable name for dump every does not exist
Self-explanatory.
-E: Variable for dump every is invalid style
+U: Variable for dump every is invalid style
Only equal-style variables can be used.
-E: Variable name for restart does not exist
+U: Variable name for restart does not exist
Self-explanatory.
-E: Variable for restart is invalid style
+U: Variable for restart is invalid style
Only equal-style variables can be used.
-E: Dump every variable returned a bad timestep
+U: Dump every variable returned a bad timestep
The variable must return a timestep greater than the current timestep.
-E: Restart variable returned a bad timestep
+U: Restart variable returned a bad timestep
The variable must return a timestep greater than the current timestep.
-E: Thermo every variable returned a bad timestep
+U: Thermo every variable returned a bad timestep
The variable must return a timestep greater than the current timestep.
-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: Reuse of dump ID
+U: Reuse of dump ID
A dump ID cannot be used twice.
-E: Could not find dump group ID
+U: Could not find dump group ID
A group ID used in the dump command does not exist.
-E: Invalid dump frequency
+U: Invalid dump frequency
Dump frequency must be 1 or greater.
-E: Invalid dump style
+U: Invalid dump style
The choice of dump style is unknown.
-E: Cound not find dump_modify ID
+U: Cound not find dump_modify ID
Self-explanatory.
-E: Could not find undump ID
+U: Could not find undump ID
A dump ID used in the undump command does not exist.
-E: Thermo_style command before simulation box is defined
+U: Thermo_style command before simulation box is defined
The thermo_style command cannot be used before a read_data,
read_restart, or create_box command.
-W: New thermo_style command, previous thermo_modify settings will be lost
+U: New thermo_style command, previous thermo_modify settings will be lost
If a thermo_style command is used after a thermo_modify command, the
settings changed by the thermo_modify command will be reset to their
@@ -248,11 +272,11 @@ default values. This is because the thermo_modify commmand acts on
the currently defined thermo style, and a thermo_style command creates
a new style.
-E: Both restart files must have '%' or neither
+U: Both restart files must have '%' or neither
UNDOCUMENTED
-E: Both restart files must use MPI-IO or neither
+U: Both restart files must use MPI-IO or neither
UNDOCUMENTED
diff --git a/src/MANYBODY/pair_nb3b_harmonic.h b/src/MANYBODY/pair_nb3b_harmonic.h
index 1564487bf5..ac08424f54 100644
--- a/src/MANYBODY/pair_nb3b_harmonic.h
+++ b/src/MANYBODY/pair_nb3b_harmonic.h
@@ -75,37 +75,30 @@ E: Incorrect args for pair coefficients
Self-explanatory. Check the input script or data file.
-E: Pair style COMB requires atom IDs
+E: Pair style nb3b/harmonic requires atom IDs
-This is a requirement to use the AIREBO potential.
-
-E: Pair style COMB requires newton pair on
-
-See the newton command. This is a restriction to use the COMB
-potential.
+UNDOCUMENTED
-E: Pair style COMB requires atom attribute q
+E: Pair style nb3b/harmonic requires newton pair on
-Self-explanatory.
+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.
-E: Cannot open COMB potential file %s
+E: Cannot open nb3b/harmonic potential file %s
-The specified COMB potential file cannot be opened. Check that the
-path and name are correct.
+UNDOCUMENTED
-E: Incorrect format in COMB potential file
+E: Incorrect format in nb3b/harmonic potential file
-Incorrect number of words per line in the potential file.
+UNDOCUMENTED
-E: Illegal COMB parameter
+E: Illegal nb3b/harmonic parameter
-One or more of the coefficients defined in the potential file is
-invalid.
+UNDOCUMENTED
E: Potential file has duplicate entry
@@ -117,15 +110,42 @@ E: Potential file is missing an entry
The potential file for a SW or Tersoff potential does not have a
needed entry.
-W: Pair COMB charge %.10f with force %.10f hit min barrier
+U: Pair style COMB requires atom IDs
+
+This is a requirement to use the AIREBO potential.
+
+U: Pair style COMB requires newton pair on
+
+See the newton command. This is a restriction to use the COMB
+potential.
+
+U: Pair style COMB requires atom attribute q
+
+Self-explanatory.
+
+U: Cannot open COMB potential file %s
+
+The specified COMB potential file cannot be opened. Check that the
+path and name are correct.
+
+U: Incorrect format in COMB potential file
+
+Incorrect number of words per line in the potential file.
+
+U: Illegal COMB parameter
+
+One or more of the coefficients defined in the potential file is
+invalid.
+
+U: Pair COMB charge %.10f with force %.10f hit min barrier
Something is possibly wrong with your model.
-W: Pair COMB charge %.10f with force %.10f hit max barrier
+U: Pair COMB charge %.10f with force %.10f hit max barrier
Something is possibly wrong with your model.
-E: Neighbor list overflow, boost neigh_modify one
+U: Neighbor list 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/MANYBODY/pair_tersoff_mod.h b/src/MANYBODY/pair_tersoff_mod.h
index c763dadb31..9b30bd4bee 100644
--- a/src/MANYBODY/pair_tersoff_mod.h
+++ b/src/MANYBODY/pair_tersoff_mod.h
@@ -80,13 +80,33 @@ class PairTersoffMOD : public PairTersoff {
/* ERROR/WARNING messages:
-E: Illegal ... command
+E: Cannot open Tersoff potential file %s
+
+UNDOCUMENTED
+
+E: Incorrect format in Tersoff potential file
+
+UNDOCUMENTED
+
+E: Illegal Tersoff parameter
+
+UNDOCUMENTED
+
+E: Potential file has duplicate entry
+
+UNDOCUMENTED
+
+E: Potential file is missing an entry
+
+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: Region union region ID does not exist
+U: Region union region ID does not exist
One or more of the region IDs specified by the region union command
does not exist.
diff --git a/src/MISC/fix_efield.h b/src/MISC/fix_efield.h
index 6b14bd2215..ea31b3efe2 100644
--- a/src/MISC/fix_efield.h
+++ b/src/MISC/fix_efield.h
@@ -64,7 +64,47 @@ class FixEfield : public Fix {
/* ERROR/WARNING messages:
-E: Neighbor list overflow, boost neigh_modify one
+E: Illegal ... command
+
+UNDOCUMENTED
+
+E: Region ID for fix efield does not exist
+
+UNDOCUMENTED
+
+E: Fix efield requires atom attribute q or mu
+
+UNDOCUMENTED
+
+E: Variable name for fix efield does not exist
+
+UNDOCUMENTED
+
+E: Variable for fix efield is invalid style
+
+UNDOCUMENTED
+
+E: Region ID for fix aveforce does not exist
+
+UNDOCUMENTED
+
+E: Fix efield with dipoles cannot use atom-style variables
+
+UNDOCUMENTED
+
+W: The minimizer does not re-orient dipoles when using fix efield
+
+UNDOCUMENTED
+
+E: Cannot use variable energy with constant efield in fix efield
+
+UNDOCUMENTED
+
+E: Must use variable energy with fix efield
+
+UNDOCUMENTED
+
+U: Neighbor list 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/MISC/pair_nm_cut.h b/src/MISC/pair_nm_cut.h
index 06f5cac581..c4f289a9d5 100644
--- a/src/MISC/pair_nm_cut.h
+++ b/src/MISC/pair_nm_cut.h
@@ -58,70 +58,78 @@ class PairNMCut : public Pair {
/* ERROR/WARNING messages:
-E: Create_atoms command before simulation box is defined
+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: Incorrect args for pair coefficients
+
+UNDOCUMENTED
+
+E: All pair coeffs are not set
+
+UNDOCUMENTED
+
+U: Create_atoms command before simulation box is defined
The create_atoms command cannot be used before a read_data,
read_restart, or create_box command.
-E: Cannot create_atoms after reading restart file with per-atom info
+U: Cannot create_atoms after reading restart file with per-atom info
The per-atom info was stored to be used when by a fix that you
may re-define. If you add atoms before re-defining the fix, then
there will not be a correct amount of per-atom info.
-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: Create_atoms region ID does not exist
+U: Create_atoms region ID does not exist
A region ID used in the create_atoms command does not exist.
-E: Invalid basis setting in create_atoms command
+U: Invalid basis setting in create_atoms command
UNDOCUMENTED
-E: Molecule template ID for create_atoms does not exist
+U: Molecule template ID for create_atoms does not exist
UNDOCUMENTED
-W: Molecule template for create_atoms has multiple molecules
+U: Molecule template for create_atoms has multiple molecules
UNDOCUMENTED
-E: Invalid atom type in create_atoms command
+U: Invalid atom type in create_atoms command
The create_box command specified the range of valid atom types.
An invalid type is being requested.
-E: Create_atoms molecule must have coordinates
+U: Create_atoms molecule must have coordinates
UNDOCUMENTED
-E: Create_atoms molecule must have atom types
+U: Create_atoms molecule must have atom types
UNDOCUMENTED
-E: Invalid atom type in create_atoms mol command
+U: Invalid atom type in create_atoms mol command
UNDOCUMENTED
-E: Create_atoms molecule has atom IDs, but system does not
+U: Create_atoms molecule has atom IDs, but system does not
UNDOCUMENTED
-E: Cannot create atoms with undefined lattice
+U: Cannot create atoms with undefined lattice
Must use the lattice command before using the create_atoms
command.
-E: Too many total atoms
+U: Too many total atoms
See the setting for bigint in the src/lmptype.h file.
-E: No overlap of box and region for create_atoms
+U: No overlap of box and region for create_atoms
Self-explanatory.
diff --git a/src/MOLECULE/atom_vec_angle.h b/src/MOLECULE/atom_vec_angle.h
index bde6f6191c..34102c23a1 100644
--- a/src/MOLECULE/atom_vec_angle.h
+++ b/src/MOLECULE/atom_vec_angle.h
@@ -89,8 +89,4 @@ E: Invalid atom type in Atoms section of data file
Atom types must range from 1 to specified # of types.
-U: Invalid atom ID in Atoms section of data file
-
-Atom IDs must be positive integers.
-
*/
diff --git a/src/MOLECULE/atom_vec_template.cpp b/src/MOLECULE/atom_vec_template.cpp
index 7b45ba98b9..059c610612 100644
--- a/src/MOLECULE/atom_vec_template.cpp
+++ b/src/MOLECULE/atom_vec_template.cpp
@@ -52,7 +52,7 @@ AtomVecTemplate::AtomVecTemplate(LAMMPS *lmp) : AtomVec(lmp)
void AtomVecTemplate::process_args(int narg, char **arg)
{
- if (narg != 1) error->all(FLERR,"Invalid atom_style template command");
+ if (narg != 1) error->all(FLERR,"Illegal atom_style template command");
int imol = atom->find_molecule(arg[0]);
if (imol == -1) error->all(FLERR,"Molecule template ID for "
diff --git a/src/MOLECULE/atom_vec_template.h b/src/MOLECULE/atom_vec_template.h
index 5f7485fe8f..06f8ef2ba9 100644
--- a/src/MOLECULE/atom_vec_template.h
+++ b/src/MOLECULE/atom_vec_template.h
@@ -74,17 +74,19 @@ class AtomVecTemplate : public AtomVec {
/* ERROR/WARNING messages:
-E: Invalid atom_style template command
+E: Illegal ... command
-UNDOCUMENTED
+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: Molecule template ID for atom_style template does not exist
-UNDOCUMENTED
+Self-explanatory.
E: Atom style template molecule must have atom types
-UNDOCUMENTED
+The defined molecule(s) does not specify atom types.
E: Per-processor system is too big
@@ -97,14 +99,22 @@ Atom IDs must be positive integers.
E: Invalid template index in Atoms section of data file
-UNDOCUMENTED
+The template indices must be between 1 to N, where N is the number of
+molecules in the template.
E: Invalid template atom in Atoms section of data file
-UNDOCUMENTED
+The atom indices must be between 1 to N, where N is the number of
+atoms in the template molecule the atom belongs to.
E: Invalid atom type in Atoms section of data file
Atom types must range from 1 to specified # of types.
+U: Illegal atom_style template 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.
+
*/
diff --git a/src/MOLECULE/bond_fene.h b/src/MOLECULE/bond_fene.h
index 55a2d82b1c..bc5d15473b 100644
--- a/src/MOLECULE/bond_fene.h
+++ b/src/MOLECULE/bond_fene.h
@@ -52,9 +52,10 @@ class BondFENE : public Bond {
/* ERROR/WARNING messages:
-W: FENE bond too long: %ld %g
+W: FENE bond too long: %ld %ld %ld %g
-UNDOCUMENTED
+A FENE bond has stretched dangerously far. It's interaction strength
+will be truncated to attempt to prevent the bond from blowing up.
E: Bad FENE bond
@@ -74,9 +75,4 @@ W: FENE bond too long: %ld %g
A FENE bond has stretched dangerously far. It's interaction strength
will be truncated to attempt to prevent the bond from blowing up.
-U: FENE bond too long: %ld %d %d %g
-
-A FENE bond has stretched dangerously far. It's interaction strength
-will be truncated to attempt to prevent the bond from blowing up.
-
*/
diff --git a/src/MOLECULE/bond_fene_expand.h b/src/MOLECULE/bond_fene_expand.h
index c2ded1a4dd..96b685f404 100644
--- a/src/MOLECULE/bond_fene_expand.h
+++ b/src/MOLECULE/bond_fene_expand.h
@@ -52,9 +52,10 @@ class BondFENEExpand : public Bond {
/* ERROR/WARNING messages:
-W: FENE bond too long: %ld %g
+W: FENE bond too long: %ld %ld %ld %g
-UNDOCUMENTED
+A FENE bond has stretched dangerously far. It's interaction strength
+will be truncated to attempt to prevent the bond from blowing up.
E: Bad FENE bond
@@ -74,9 +75,4 @@ W: FENE bond too long: %ld %g
A FENE bond has stretched dangerously far. It's interaction strength
will be truncated to attempt to prevent the bond from blowing up.
-U: FENE bond too long: %ld %d %d %g
-
-A FENE bond has stretched dangerously far. It's interaction strength
-will be truncated to attempt to prevent the bond from blowing up.
-
*/
diff --git a/src/MOLECULE/bond_quartic.h b/src/MOLECULE/bond_quartic.h
index be21793944..5178a228cc 100644
--- a/src/MOLECULE/bond_quartic.h
+++ b/src/MOLECULE/bond_quartic.h
@@ -68,7 +68,8 @@ bond style quartic.
E: Bond style quartic cannot be used with atom style template
-UNDOCUMENTED
+This bond style can change the bond topology which is not
+allowed with this atom style.
E: Bond style quartic requires special_bonds = 1,1,1
diff --git a/src/MOLECULE/dihedral_charmm.h b/src/MOLECULE/dihedral_charmm.h
index 7c57880606..0f9af45470 100644
--- a/src/MOLECULE/dihedral_charmm.h
+++ b/src/MOLECULE/dihedral_charmm.h
@@ -52,9 +52,10 @@ class DihedralCharmm : public Dihedral {
/* ERROR/WARNING messages:
-W: Dihedral problem: %d %ld
+W: Dihedral problem: %d %ld %ld %ld %ld %ld
-UNDOCUMENTED
+Conformation of the 4 listed dihedral atoms is extreme; you may want
+to check your simulation geometry.
E: Incorrect args for dihedral coefficients
@@ -73,9 +74,4 @@ E: Dihedral charmm is incompatible with Pair style
Dihedral style charmm must be used with a pair style charmm
in order for the 1-4 epsilon/sigma parameters to be defined.
-U: Dihedral problem: %d %ld %d %d %d %d
-
-Conformation of the 4 listed dihedral atoms is extreme; you may want
-to check your simulation geometry.
-
*/
diff --git a/src/MOLECULE/dihedral_harmonic.h b/src/MOLECULE/dihedral_harmonic.h
index 6055e2cde5..150a94ac72 100644
--- a/src/MOLECULE/dihedral_harmonic.h
+++ b/src/MOLECULE/dihedral_harmonic.h
@@ -49,9 +49,10 @@ class DihedralHarmonic : public Dihedral {
/* ERROR/WARNING messages:
-W: Dihedral problem: %d %ld
+W: Dihedral problem: %d %ld %ld %ld %ld %ld
-UNDOCUMENTED
+Conformation of the 4 listed dihedral atoms is extreme; you may want
+to check your simulation geometry.
E: Incorrect args for dihedral coefficients
@@ -65,9 +66,4 @@ E: Incorrect multiplicity arg for dihedral coefficients
Self-explanatory. Check the input script or data file.
-U: Dihedral problem: %d %ld %d %d %d %d
-
-Conformation of the 4 listed dihedral atoms is extreme; you may want
-to check your simulation geometry.
-
*/
diff --git a/src/MOLECULE/dihedral_helix.h b/src/MOLECULE/dihedral_helix.h
index c9a0c7b227..753852941b 100644
--- a/src/MOLECULE/dihedral_helix.h
+++ b/src/MOLECULE/dihedral_helix.h
@@ -47,17 +47,13 @@ class DihedralHelix : public Dihedral {
/* ERROR/WARNING messages:
-W: Dihedral problem: %d %ld
+W: Dihedral problem: %d %ld %ld %ld %ld %ld
-UNDOCUMENTED
+Conformation of the 4 listed dihedral atoms is extreme; you may want
+to check your simulation geometry.
E: Incorrect args for dihedral coefficients
Self-explanatory. Check the input script or data file.
-U: Dihedral problem: %d %ld %d %d %d %d
-
-Conformation of the 4 listed dihedral atoms is extreme; you may want
-to check your simulation geometry.
-
*/
diff --git a/src/MOLECULE/dihedral_multi_harmonic.h b/src/MOLECULE/dihedral_multi_harmonic.h
index ad1b791713..1fd54ad318 100644
--- a/src/MOLECULE/dihedral_multi_harmonic.h
+++ b/src/MOLECULE/dihedral_multi_harmonic.h
@@ -47,17 +47,13 @@ class DihedralMultiHarmonic : public Dihedral {
/* ERROR/WARNING messages:
-W: Dihedral problem: %d %ld
+W: Dihedral problem: %d %ld %ld %ld %ld %ld
-UNDOCUMENTED
+Conformation of the 4 listed dihedral atoms is extreme; you may want
+to check your simulation geometry.
E: Incorrect args for dihedral coefficients
Self-explanatory. Check the input script or data file.
-U: Dihedral problem: %d %ld %d %d %d %d
-
-Conformation of the 4 listed dihedral atoms is extreme; you may want
-to check your simulation geometry.
-
*/
diff --git a/src/MOLECULE/dihedral_opls.h b/src/MOLECULE/dihedral_opls.h
index b20034f385..c53dca322f 100644
--- a/src/MOLECULE/dihedral_opls.h
+++ b/src/MOLECULE/dihedral_opls.h
@@ -48,17 +48,13 @@ class DihedralOPLS : public Dihedral {
/* ERROR/WARNING messages:
-W: Dihedral problem: %d %ld
+W: Dihedral problem: %d %ld %ld %ld %ld %ld
-UNDOCUMENTED
+Conformation of the 4 listed dihedral atoms is extreme; you may want
+to check your simulation geometry.
E: Incorrect args for dihedral coefficients
Self-explanatory. Check the input script or data file.
-U: Dihedral problem: %d %ld %d %d %d %d
-
-Conformation of the 4 listed dihedral atoms is extreme; you may want
-to check your simulation geometry.
-
*/
diff --git a/src/MOLECULE/improper_cvff.h b/src/MOLECULE/improper_cvff.h
index 54a2a0a7af..d210afd5a2 100644
--- a/src/MOLECULE/improper_cvff.h
+++ b/src/MOLECULE/improper_cvff.h
@@ -49,7 +49,7 @@ class ImproperCvff : public Improper {
/* ERROR/WARNING messages:
-W: Improper problem: %d %ld
+W: Improper problem: %d %ld %ld %ld %ld %ld
UNDOCUMENTED
@@ -57,6 +57,10 @@ E: Incorrect args for improper coefficients
Self-explanatory. Check the input script or data file.
+U: Improper problem: %d %ld
+
+UNDOCUMENTED
+
U: Improper problem: %d %ld %d %d %d %d
Conformation of the 4 listed improper atoms is extreme; you may want
diff --git a/src/MOLECULE/improper_harmonic.h b/src/MOLECULE/improper_harmonic.h
index 4ed142f845..9769d61baa 100644
--- a/src/MOLECULE/improper_harmonic.h
+++ b/src/MOLECULE/improper_harmonic.h
@@ -48,7 +48,7 @@ class ImproperHarmonic : public Improper {
/* ERROR/WARNING messages:
-W: Improper problem: %d %ld
+W: Improper problem: %d %ld %ld %ld %ld %ld
UNDOCUMENTED
@@ -56,6 +56,10 @@ E: Incorrect args for improper coefficients
Self-explanatory. Check the input script or data file.
+U: Improper problem: %d %ld
+
+UNDOCUMENTED
+
U: Improper problem: %d %ld %d %d %d %d
Conformation of the 4 listed improper atoms is extreme; you may want
diff --git a/src/MOLECULE/improper_umbrella.h b/src/MOLECULE/improper_umbrella.h
index 6082a08681..c3293a30df 100644
--- a/src/MOLECULE/improper_umbrella.h
+++ b/src/MOLECULE/improper_umbrella.h
@@ -47,7 +47,7 @@ class ImproperUmbrella : public Improper {
/* ERROR/WARNING messages:
-W: Improper problem: %d %ld
+W: Improper problem: %d %ld %ld %ld %ld %ld
UNDOCUMENTED
@@ -55,6 +55,10 @@ E: Incorrect args for improper coefficients
Self-explanatory. Check the input script or data file.
+U: Improper problem: %d %ld
+
+UNDOCUMENTED
+
U: Improper problem: %d %ld %d %d %d %d
Conformation of the 4 listed improper atoms is extreme; you may want
diff --git a/src/MPIIO/dump_atom_mpiio.cpp b/src/MPIIO/dump_atom_mpiio.cpp
index 6d60b9f3a3..e78b5cd444 100644
--- a/src/MPIIO/dump_atom_mpiio.cpp
+++ b/src/MPIIO/dump_atom_mpiio.cpp
@@ -82,11 +82,8 @@ void DumpAtomMPIIO::openfile()
if (append_flag) { // append open
int err = MPI_File_open( world, filecurrent, MPI_MODE_CREATE | MPI_MODE_APPEND | MPI_MODE_WRONLY , MPI_INFO_NULL, &mpifh);
- if (err != MPI_SUCCESS) {
- char str[128];
- sprintf(str,"Cannot open dump file %s",filecurrent);
- error->one(FLERR,str);
- }
+ if (err != MPI_SUCCESS)
+ error->one(FLERR,"Cannot open dump file");
int myrank;
MPI_Comm_rank(world,&myrank);
if (myrank == 0)
@@ -99,11 +96,8 @@ void DumpAtomMPIIO::openfile()
else { // replace open
int err = MPI_File_open( world, filecurrent, MPI_MODE_CREATE | MPI_MODE_APPEND | MPI_MODE_WRONLY , MPI_INFO_NULL, &mpifh);
- if (err != MPI_SUCCESS) {
- char str[128];
- sprintf(str,"Cannot open dump file %s",filecurrent);
- error->one(FLERR,str);
- }
+ if (err != MPI_SUCCESS)
+ error->one(FLERR,"Cannot open dump file");
mpifo = 0;
MPI_File_set_size(mpifh,(MPI_Offset) (headerSize+sumFileSize));
diff --git a/src/MPIIO/dump_atom_mpiio.h b/src/MPIIO/dump_atom_mpiio.h
index 9d27dcf944..0c9b55998e 100644
--- a/src/MPIIO/dump_atom_mpiio.h
+++ b/src/MPIIO/dump_atom_mpiio.h
@@ -76,9 +76,10 @@ class DumpAtomMPIIO : public DumpAtom {
/* ERROR/WARNING messages:
-E: Cannot open dump file %s
+E: Cannot open dump file
-UNDOCUMENTED
+The output file for the dump command cannot be opened. Check that the
+path and name are correct.
E: Too much per-proc info for dump
diff --git a/src/MPIIO/dump_custom_mpiio.cpp b/src/MPIIO/dump_custom_mpiio.cpp
index d668fa0a0a..5f1726d372 100644
--- a/src/MPIIO/dump_custom_mpiio.cpp
+++ b/src/MPIIO/dump_custom_mpiio.cpp
@@ -103,11 +103,8 @@ void DumpCustomMPIIO::openfile()
if (append_flag) { // append open
int err = MPI_File_open( world, filecurrent, MPI_MODE_CREATE | MPI_MODE_APPEND | MPI_MODE_WRONLY , MPI_INFO_NULL, &mpifh);
- if (err != MPI_SUCCESS) {
- char str[128];
- sprintf(str,"Cannot open dump file %s",filecurrent);
- error->one(FLERR,str);
- }
+ if (err != MPI_SUCCESS)
+ error->one(FLERR,"Cannot open dump file");
int myrank;
MPI_Comm_rank(world,&myrank);
if (myrank == 0)
@@ -120,11 +117,8 @@ void DumpCustomMPIIO::openfile()
else { // replace open
int err = MPI_File_open( world, filecurrent, MPI_MODE_CREATE | MPI_MODE_APPEND | MPI_MODE_WRONLY , MPI_INFO_NULL, &mpifh);
- if (err != MPI_SUCCESS) {
- char str[128];
- sprintf(str,"Cannot open dump file %s",filecurrent);
- error->one(FLERR,str);
- }
+ if (err != MPI_SUCCESS)
+ error->one(FLERR,"Cannot open dump file");
mpifo = 0;
MPI_File_set_size(mpifh,(MPI_Offset) (headerSize+sumFileSize));
diff --git a/src/MPIIO/dump_custom_mpiio.h b/src/MPIIO/dump_custom_mpiio.h
index 22d288ff16..defc12fbb4 100644
--- a/src/MPIIO/dump_custom_mpiio.h
+++ b/src/MPIIO/dump_custom_mpiio.h
@@ -69,22 +69,39 @@ class DumpCustomMPIIO : public DumpCustom {
/* ERROR/WARNING messages:
-E: Illegal ... command
+E: Cannot open dump file
-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.
+The output file for the dump command cannot be opened. Check that the
+path and name are correct.
-E: Region ID for fix aveforce does not exist
+E: Too much per-proc info for dump
-Self-explanatory.
+Number of local atoms times number of columns must fit in a 32-bit
+integer for dump.
-E: Variable name for fix aveforce does not exist
+E: Dump_modify format string is too short
-Self-explanatory.
+There are more fields to be dumped in a line of output than your
+format string specifies.
-E: Variable for fix aveforce is invalid style
+E: Could not find dump custom compute ID
-Only equal-style variables can be used.
+UNDOCUMENTED
+
+E: Could not find dump custom fix ID
+
+UNDOCUMENTED
+
+E: Dump custom and fix not computed at compatible times
+
+UNDOCUMENTED
+
+E: Could not find dump custom variable name
+
+UNDOCUMENTED
+
+E: Region ID for dump custom does not exist
+
+UNDOCUMENTED
*/
diff --git a/src/MPIIO/dump_xyz_mpiio.h b/src/MPIIO/dump_xyz_mpiio.h
index a98d9b8c5c..56b3587458 100644
--- a/src/MPIIO/dump_xyz_mpiio.h
+++ b/src/MPIIO/dump_xyz_mpiio.h
@@ -63,161 +63,169 @@ class DumpXYZMPIIO : public DumpXYZ {
/* ERROR/WARNING messages:
-E: No dump custom arguments specified
+E: Cannot open dump file %s
+
+UNDOCUMENTED
+
+E: Too much per-proc info for dump
+
+UNDOCUMENTED
+
+U: No dump custom arguments specified
The dump custom command requires that atom quantities be specified to
output to dump file.
-E: Invalid attribute in dump custom command
+U: Invalid attribute in dump custom command
Self-explantory.
-E: Dump_modify format string is too short
+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.
-E: Could not find dump custom compute ID
+U: Could not find dump custom compute ID
The compute ID needed by dump custom to compute a per-atom quantity
does not exist.
-E: Could not find dump custom fix ID
+U: Could not find dump custom fix ID
Self-explanatory.
-E: Dump custom and fix not computed at compatible times
+U: Dump custom and fix not computed at compatible times
The fix must produce per-atom quantities on timesteps that dump custom
needs them.
-E: Could not find dump custom variable name
+U: Could not find dump custom variable name
Self-explanatory.
-E: Region ID for dump custom does not exist
+U: Region ID for dump custom does not exist
Self-explanatory.
-E: Threshhold for an atom property that isn't allocated
+U: Threshhold for an atom property that isn't allocated
A dump threshhold has been requested on a quantity that is
not defined by the atom style used in this simulation.
-E: Dumping an atom property that isn't allocated
+U: Dumping an atom property that isn't allocated
The chosen atom style does not define the per-atom quantity being
dumped.
-E: Dumping an atom quantity that isn't allocated
+U: Dumping an atom quantity that isn't allocated
Only per-atom quantities that are defined for the atom style being
used are allowed.
-E: Dump custom compute does not compute per-atom info
+U: Dump custom compute does not compute per-atom info
Self-explanatory.
-E: Dump custom compute does not calculate per-atom vector
+U: Dump custom compute does not calculate per-atom vector
Self-explanatory.
-E: \n
+U: \n
UNDOCUMENTED
-E: Dump custom compute vector is accessed out-of-range
+U: Dump custom compute vector is accessed out-of-range
Self-explanatory.
-E: Dump custom fix does not compute per-atom info
+U: Dump custom fix does not compute per-atom info
Self-explanatory.
-E: Dump custom fix does not compute per-atom vector
+U: Dump custom fix does not compute per-atom vector
Self-explanatory.
-E: Dump custom fix does not compute per-atom array
+U: Dump custom fix does not compute per-atom array
Self-explanatory.
-E: Dump custom fix vector is accessed out-of-range
+U: Dump custom fix vector is accessed out-of-range
Self-explanatory.
-E: Dump custom variable is not atom-style variable
+U: Dump custom variable is not atom-style variable
Only atom-style variables generate per-atom quantities, needed for
dump output.
-E: Illegal ... command
+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: Dump_modify region ID does not exist
+U: Dump_modify region ID does not exist
Self-explanatory.
-E: Dump modify element names do not match atom types
+U: Dump modify element names do not match atom types
Number of element names must equal number of atom types.
-E: Invalid attribute in dump modify command
+U: Invalid attribute in dump modify command
Self-explantory.
-E: Could not find dump modify compute ID
+U: Could not find dump modify compute ID
Self-explanatory.
-E: Dump modify compute ID does not compute per-atom info
+U: Dump modify compute ID does not compute per-atom info
Self-explanatory.
-E: Dump modify compute ID does not compute per-atom vector
+U: Dump modify compute ID does not compute per-atom vector
Self-explanatory.
-E: Dump modify compute ID does not compute per-atom array
+U: Dump modify compute ID does not compute per-atom array
Self-explanatory.
-E: Dump modify compute ID vector is not large enough
+U: Dump modify compute ID vector is not large enough
Self-explanatory.
-E: Could not find dump modify fix ID
+U: Could not find dump modify fix ID
Self-explanatory.
-E: Dump modify fix ID does not compute per-atom info
+U: Dump modify fix ID does not compute per-atom info
Self-explanatory.
-E: Dump modify fix ID does not compute per-atom vector
+U: Dump modify fix ID does not compute per-atom vector
Self-explanatory.
-E: Dump modify fix ID does not compute per-atom array
+U: Dump modify fix ID does not compute per-atom array
Self-explanatory.
-E: Dump modify fix ID vector is not large enough
+U: Dump modify fix ID vector is not large enough
Self-explanatory.
-E: Could not find dump modify variable name
+U: Could not find dump modify variable name
Self-explanatory.
-E: Dump modify variable is not atom-style variable
+U: Dump modify variable is not atom-style variable
Self-explanatory.
-E: Invalid dump_modify threshhold operator
+U: Invalid dump_modify threshhold operator
Operator keyword used for threshold specification in not recognized.
diff --git a/src/RIGID/compute_erotate_rigid.cpp b/src/RIGID/compute_erotate_rigid.cpp
index 8e46fcdd5f..6c78c12802 100644
--- a/src/RIGID/compute_erotate_rigid.cpp
+++ b/src/RIGID/compute_erotate_rigid.cpp
@@ -57,7 +57,7 @@ void ComputeERotateRigid::init()
int flag = 1;
if (strcmp(modify->fix[irfix]->style,"rigid/small") == 0) flag = 0;
else if (strstr(modify->fix[irfix]->style,"rigid")) flag = 0;
- if (flag) error->all(FLERR,"Compute ke/rigid with non-rigid fix-ID");
+ if (flag) error->all(FLERR,"Compute erotate/rigid with non-rigid fix-ID");
}
/* ---------------------------------------------------------------------- */
diff --git a/src/RIGID/compute_erotate_rigid.h b/src/RIGID/compute_erotate_rigid.h
index 7923963ff3..7831c4c527 100644
--- a/src/RIGID/compute_erotate_rigid.h
+++ b/src/RIGID/compute_erotate_rigid.h
@@ -51,13 +51,9 @@ command-line option when running LAMMPS to see the offending line.
E: Fix ID for compute erotate/rigid does not exist
-UNDOCUMENTED
-
-E: Compute ke/rigid with non-rigid fix-ID
-
-UNDOCUMENTED
+Self-explanatory.
-U: Compute erotate/sphere requires atom style sphere
+E: Compute erotate/rigid with non-rigid fix-ID
Self-explanatory.
diff --git a/src/RIGID/compute_ke_rigid.h b/src/RIGID/compute_ke_rigid.h
index 5175e736c4..3f01d569c7 100644
--- a/src/RIGID/compute_ke_rigid.h
+++ b/src/RIGID/compute_ke_rigid.h
@@ -51,10 +51,10 @@ command-line option when running LAMMPS to see the offending line.
E: Fix ID for compute ke/rigid does not exist
-UNDOCUMENTED
+Self-explanatory.
E: Compute ke/rigid with non-rigid fix-ID
-UNDOCUMENTED
+Self-explanatory.
*/
diff --git a/src/RIGID/fix_rigid_small.h b/src/RIGID/fix_rigid_small.h
index 0471a77850..b5177fcaeb 100644
--- a/src/RIGID/fix_rigid_small.h
+++ b/src/RIGID/fix_rigid_small.h
@@ -283,7 +283,11 @@ E: Cannot open fix rigid restart file %s
UNDOCUMENTED
-E: Rigid body atoms missing on proc %d at step %ld
+E: Rigid body atoms %ld %ld missing on proc %d at step %ld
+
+UNDOCUMENTED
+
+U: Rigid body atoms missing on proc %d at step %ld
UNDOCUMENTED
diff --git a/src/RIGID/fix_shake.h b/src/RIGID/fix_shake.h
index 8c803f0262..c0668ba74c 100644
--- a/src/RIGID/fix_shake.h
+++ b/src/RIGID/fix_shake.h
@@ -205,15 +205,15 @@ All 3-atom angle-constrained SHAKE clusters specified by the fix shake
command that are the same angle type, must also have the same bond
types for the 2 bonds in the angle.
-E: Shake atoms missing on proc %d at step %ld
+E: Shake atoms %ld %ld missing on proc %d at step %ld
UNDOCUMENTED
-E: Shake atoms missing on proc %d at step %ld
+E: Shake atoms %ld %ld %ld missing on proc %d at step %ld
UNDOCUMENTED
-E: Shake atoms missing on proc %d at step %ld
+E: Shake atoms %ld %ld %ld %ld missing on proc %d at step %ld
UNDOCUMENTED
@@ -245,6 +245,18 @@ E: Shake determinant = 0.0
The determinant of the matrix being solved for a single cluster
specified by the fix shake command is numerically invalid.
+U: Shake atoms missing on proc %d at step %ld
+
+UNDOCUMENTED
+
+U: Shake atoms missing on proc %d at step %ld
+
+UNDOCUMENTED
+
+U: Shake atoms missing on proc %d at step %ld
+
+UNDOCUMENTED
+
U: Shake atoms %d %d missing on proc %d at step %ld
The 2 atoms in a single shake cluster specified by the fix shake
diff --git a/src/SRD/fix_srd.h b/src/SRD/fix_srd.h
index 3a869ced5b..fd84a5befb 100644
--- a/src/SRD/fix_srd.h
+++ b/src/SRD/fix_srd.h
@@ -335,15 +335,15 @@ E: Fix SRD: bad bin assignment for SRD advection
Something has gone wrong in your SRD model; try using more
conservative settings.
-E: SRD particle started inside big particle on step %ld bounce %d
+E: SRD particle %ld started inside big particle %ld on step %ld bounce %d
UNDOCUMENTED
-W: SRD particle started inside big particle on step %ld bounce %d
+W: SRD particle %ld started inside big particle %ld on step %ld bounce %d
UNDOCUMENTED
-W: SRD particle started inside big particle on step %ld bounce %d
+W: SRD particle %ld started inside big particle %ld on step %ld bounce %d
UNDOCUMENTED
@@ -419,6 +419,18 @@ W: Fix srd particles may move > big particle diameter
This may cause accuracy problems.
+U: SRD particle started inside big particle on step %ld bounce %d
+
+UNDOCUMENTED
+
+U: SRD particle started inside big particle on step %ld bounce %d
+
+UNDOCUMENTED
+
+U: SRD particle started inside big particle on step %ld bounce %d
+
+UNDOCUMENTED
+
U: SRD particle %d started inside big particle %d on step %ld bounce %d
See the inside keyword if you want this message to be an error vs
diff --git a/src/VORONOI/compute_voronoi_atom.cpp b/src/VORONOI/compute_voronoi_atom.cpp
index 9c122ced16..ba3dc7b9ea 100644
--- a/src/VORONOI/compute_voronoi_atom.cpp
+++ b/src/VORONOI/compute_voronoi_atom.cpp
@@ -53,40 +53,46 @@ ComputeVoronoi::ComputeVoronoi(LAMMPS *lmp, int narg, char **arg) :
int iarg = 3;
while ( iarg<narg ) {
- if (strcmp(arg[iarg], "only_group") == 0) {
+ if (strcmp(arg[iarg],"only_group") == 0) {
onlyGroup = true;
iarg++;
}
- else if (strcmp(arg[iarg], "radius") == 0) {
- if (iarg + 2 > narg || strstr(arg[iarg+1],"v_") != arg[iarg+1] ) error->all(FLERR,"Missing atom style variable for radical voronoi tesselation radius.");
+ else if (strcmp(arg[iarg],"radius") == 0) {
+ if (iarg + 2 > narg || strstr(arg[iarg+1],"v_") != arg[iarg+1] )
+ error->all(FLERR,"Illegal compute voronoi/atom command");
int n = strlen(&arg[iarg+1][2]) + 1;
radstr = new char[n];
strcpy(radstr,&arg[iarg+1][2]);
iarg += 2;
}
- else if (strcmp(arg[iarg], "surface") == 0) {
- if (iarg + 2 > narg) error->all(FLERR,"Missing group name after keyword 'surface'.");
+ else if (strcmp(arg[iarg],"surface") == 0) {
+ if (iarg + 2 > narg)
+ error->all(FLERR,"Illegal compute voronoi/atom command");
// group all is a special case where we just skip group testing
if(strcmp(arg[iarg+1], "all") == 0) {
surface = VOROSURF_ALL;
} else {
sgroup = group->find(arg[iarg+1]);
- if (sgroup == -1) error->all(FLERR,"Could not find compute/voronoi surface group ID");
+ if (sgroup == -1)
+ error->all(FLERR,"Could not find compute/voronoi surface group ID");
sgroupbit = group->bitmask[sgroup];
surface = VOROSURF_GROUP;
}
size_peratom_cols = 3;
iarg += 2;
} else if (strcmp(arg[iarg], "edge_histo") == 0) {
- if (iarg + 2 > narg) error->all(FLERR,"Missing maximum edge count after keyword 'edge_histo'.");
+ if (iarg + 2 > narg)
+ error->all(FLERR,"Illegal compute voronoi/atom command");
maxedge = atoi(arg[iarg+1]);
iarg += 2;
} else if (strcmp(arg[iarg], "face_threshold") == 0) {
- if (iarg + 2 > narg) error->all(FLERR,"Missing minimum face area after keyword 'face_threshold'.");
+ if (iarg + 2 > narg)
+ error->all(FLERR,"Illegal compute voronoi/atom command");
fthresh = atof(arg[iarg+1]);
iarg += 2;
} else if (strcmp(arg[iarg], "edge_threshold") == 0) {
- if (iarg + 2 > narg) error->all(FLERR,"Missing minimum edge length after keyword 'edge_threshold'.");
+ if (iarg + 2 > narg)
+ error->all(FLERR,"Illegal compute voronoi/atom command");
ethresh = atof(arg[iarg+1]);
iarg += 2;
}
@@ -218,9 +224,9 @@ void ComputeVoronoi::compute_peratom()
// check and fetch atom style variable data
int radvar = input->variable->find(radstr);
if (radvar < 0)
- error->all(FLERR,"Variable name for voronoi radius set does not exist");
+ error->all(FLERR,"Variable name for voronoi radius does not exist");
if (!input->variable->atomstyle(radvar))
- error->all(FLERR,"Variable for voronoi radius is not atom style");
+ error->all(FLERR,"Variable for voronoi radius is not atom style");
// prepare destination buffer for variable evaluation
if (nlocal > rmax) {
memory->destroy(rfield);
diff --git a/src/VORONOI/compute_voronoi_atom.h b/src/VORONOI/compute_voronoi_atom.h
index b4df182caf..1d6d335073 100644
--- a/src/VORONOI/compute_voronoi_atom.h
+++ b/src/VORONOI/compute_voronoi_atom.h
@@ -56,50 +56,27 @@ class ComputeVoronoi : public Compute {
/* ERROR/WARNING messages:
-E: Missing atom style variable for radical voronoi tesselation radius.
-
-UNDOCUMENTED
-
-E: Missing group name after keyword 'surface'.
-
-UNDOCUMENTED
-
-E: Could not find compute/voronoi surface group ID
-
-UNDOCUMENTED
-
-E: Missing maximum edge count after keyword 'edge_histo'.
-
-UNDOCUMENTED
-
-E: Missing minimum face area after keyword 'face_threshold'.
-
-UNDOCUMENTED
-
-E: Missing minimum edge length after keyword 'edge_threshold'.
-
-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: Could not find compute/voronoi surface group ID
+
+Self-explanatory.
+
W: More than one compute voronoi/atom command
It is not efficient to use compute voronoi/atom more than once.
-E: Variable name for voronoi radius set does not exist
+E: Variable name for voronoi radius does not exist
-UNDOCUMENTED
+Self-explanatory.
E: Variable for voronoi radius is not atom style
-UNDOCUMENTED
-
-U: Compute voronoi/atom not allowed for triclinic boxes
-
-This is a current restriction of this command.
+The variable used for this command must be an atom-style variable.
+See the variable command for details.
*/
diff --git a/src/atom.h b/src/atom.h
index a523ef9c32..87a9ca6e65 100644
--- a/src/atom.h
+++ b/src/atom.h
@@ -283,7 +283,7 @@ class Atom : protected Pointers {
E: Atom IDs must be used for molecular systems
-UNDOCUMENTED
+Atom IDs are used to identify and find partner atoms in bonds.
E: Invalid atom style
@@ -301,7 +301,8 @@ command-line option when running LAMMPS to see the offending line.
E: Atom_modify id command after simulation box is defined
-UNDOCUMENTED
+The atom_modify id command cannot be used after a read_data,
+read_restart, or create_box command.
E: Atom_modify map command after simulation box is defined
@@ -314,23 +315,27 @@ Self-explanatory.
E: Atom ID is negative
-UNDOCUMENTED
+Self-explanatory.
E: Atom ID is too big
-UNDOCUMENTED
+The limit on atom IDs is set by the SMALLBIG, BIGBIG, SMALLSMALL
+setting in your Makefile. See Section_start 2.2 of the manual for
+more details.
E: Atom ID is zero
-UNDOCUMENTED
+Either all atoms IDs must be zero or none of them.
E: Not all atom IDs are 0
-UNDOCUMENTED
+Either all atoms IDs must be zero or none of them.
E: New atom IDs exceed maximum allowed ID
-UNDOCUMENTED
+The limit on atom IDs is set by the SMALLBIG, BIGBIG, SMALLSMALL
+setting in your Makefile. See Section_start 2.2 of the manual for
+more details.
E: Incorrect atom format in data file
@@ -429,7 +434,7 @@ command.
E: Reuse of molecule template ID
-UNDOCUMENTED
+The template IDs must be unique.
E: Atom sort did not operate correctly
diff --git a/src/atom_vec_hybrid.h b/src/atom_vec_hybrid.h
index f91bfc7898..d0e89393e8 100644
--- a/src/atom_vec_hybrid.h
+++ b/src/atom_vec_hybrid.h
@@ -95,7 +95,7 @@ Self-explanatory.
E: Cannot mix molecular and molecule template atom styles
-UNDOCUMENTED
+Self-explanatory.
E: Per-processor system is too big
diff --git a/src/citeme.cpp b/src/citeme.cpp
index 2cc4e2f1be..70b02e83b4 100644
--- a/src/citeme.cpp
+++ b/src/citeme.cpp
@@ -65,7 +65,7 @@ void CiteMe::add(const char *ref)
if (!fp) {
fp = fopen("log.cite","w");
- if (!fp) error->universe_one(FLERR,"Could not open log.cite file");
+ if (!fp) error->universe_one(FLERR,"Cannot open log.cite file");
fputs(cite_header,fp);
fflush(fp);
}
diff --git a/src/citeme.h b/src/citeme.h
index 860e69ecf3..b834015332 100644
--- a/src/citeme.h
+++ b/src/citeme.h
@@ -38,8 +38,11 @@ class CiteMe : protected Pointers {
/* ERROR/WARNING messages:
-E: Could not open log.cite file
+E: Cannot open log.cite file
-UNDOCUMENTED
+This file is created when you use some LAMMPS features, to indicate
+what paper you should cite on behalf of those who implemented
+the feature. Check that you have write priveleges into the directory
+you are running in.
*/
diff --git a/src/compute.h b/src/compute.h
index 1ba6de0d9a..0c96617d19 100644
--- a/src/compute.h
+++ b/src/compute.h
@@ -170,7 +170,9 @@ want.
E: Too many molecules for compute
-UNDOCUMENTED
+The compute molecule commands store a list of all molecules in the
+system. The size of that list must fit in a 32-bit integer, i.e. be
+less than ~2 billion molecules.
W: One or more compute molecules has atoms not in group
diff --git a/src/compute_property_atom.h b/src/compute_property_atom.h
index 72465f1ab0..a5d2c5832d 100644
--- a/src/compute_property_atom.h
+++ b/src/compute_property_atom.h
@@ -144,11 +144,13 @@ Self-explanatory.
E: Compute property/atom floating point vector does not exist
-UNDOCUMENTED
+The command is accessing a vector added by the fix property/atom
+command, that does not exist.
E: Compute property/atom integer vector does not exist
-UNDOCUMENTED
+The command is accessing a vector added by the fix property/atom
+command, that does not exist.
E: Invalid keyword in compute property/atom command
diff --git a/src/compute_property_local.h b/src/compute_property_local.h
index d531023fb3..756dd43cf8 100644
--- a/src/compute_property_local.h
+++ b/src/compute_property_local.h
@@ -107,7 +107,7 @@ Self-explanatory.
E: Compute property/local does not (yet) work with atom_style template
-UNDOCUMENTED
+Self-explanatory.
E: Compute property/local for property that isn't allocated
diff --git a/src/compute_vacf.h b/src/compute_vacf.h
index 601fd69d9e..d37e45550e 100755
--- a/src/compute_vacf.h
+++ b/src/compute_vacf.h
@@ -52,10 +52,6 @@ command-line option when running LAMMPS to see the offending line.
E: Could not find compute vacf fix ID
-UNDOCUMENTED
-
-U: Could not find compute msd fix ID
-
Self-explanatory.
*/
diff --git a/src/create_atoms.h b/src/create_atoms.h
index 1a8ad20a1e..f20eff66f1 100644
--- a/src/create_atoms.h
+++ b/src/create_atoms.h
@@ -61,9 +61,9 @@ read_restart, or create_box command.
E: Cannot create_atoms after reading restart file with per-atom info
-The per-atom info was stored to be used when by a fix that you
-may re-define. If you add atoms before re-defining the fix, then
-there will not be a correct amount of per-atom info.
+The per-atom info was stored to be used when by a fix that you may
+re-define. If you add atoms before re-defining the fix, then there
+will not be a correct amount of per-atom info.
E: Illegal ... command
@@ -77,15 +77,18 @@ A region ID used in the create_atoms command does not exist.
E: Invalid basis setting in create_atoms command
-UNDOCUMENTED
+The basis index must be between 1 to N where N is the number of basis
+atoms in the lattice. The type index must be between 1 to N where N
+is the number of atom types.
E: Molecule template ID for create_atoms does not exist
-UNDOCUMENTED
+Self-explantory.
W: Molecule template for create_atoms has multiple molecules
-UNDOCUMENTED
+The create_atoms command will only create molecules of a single type,
+i.e. the first molecule in the template.
E: Invalid atom type in create_atoms command
@@ -94,19 +97,22 @@ An invalid type is being requested.
E: Create_atoms molecule must have coordinates
-UNDOCUMENTED
+The defined molecule does not specify coordinates.
E: Create_atoms molecule must have atom types
-UNDOCUMENTED
+The defined molecule does not specify atom types.
E: Invalid atom type in create_atoms mol command
-UNDOCUMENTED
+The atom types in the defined molecule are added to the value
+specified in the create_atoms command, as an offset. The final value
+for each atom must be between 1 to N, where N is the number of atom
+types.
E: Create_atoms molecule has atom IDs, but system does not
-UNDOCUMENTED
+The atom_style id command can be used to force atom IDs to be stored.
E: Cannot create atoms with undefined lattice
diff --git a/src/create_box.h b/src/create_box.h
index 6f217201f7..1dd3e7a743 100644
--- a/src/create_box.h
+++ b/src/create_box.h
@@ -37,61 +37,47 @@ class CreateBox : protected Pointers {
/* ERROR/WARNING messages:
-E: Dump file MPI-IO output not allowed with '%' in filename
+E: Illegal ... command
-UNDOCUMENTED
+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 dump sort when multiple procs write the dump file
+E: Cannot create_box after simulation box is defined
-UNDOCUMENTED
+A simulation box can only be defined once.
-E: Cannot dump sort on atom IDs with no atom IDs defined
+E: Cannot run 2d simulation with nonperiodic Z dimension
-Self-explanatory.
+There is a conflict between the dimension and boundary commands.
-E: Dump sort column is invalid
+E: Create_box region ID does not exist
Self-explanatory.
-E: Too many atoms to dump sort
-
-Cannot sort when running with more than 2^31 atoms.
-
-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: Too much buffered per-proc info for dump
+E: Create_box region does not support a bounding box
-UNDOCUMENTED
+Not all region styles define a bounding box which is required for use
+with the create_box command. See the region command for details.
-E: Cannot open gzipped file
+E: No bonds allowed with this atom style
-LAMMPS was compiled without support for reading and writing gzipped
-files through a pipeline to the gzip program with -DLAMMPS_GZIP.
-
-E: Cannot open dump file
-
-The output file for the dump command cannot be opened. Check that the
-path and name are correct.
-
-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.
+This means you cannot use an optional keyword that defines bond
+properties.
-E: Dump_modify buffer yes not allowed for this style
+E: No angles allowed with this atom style
-UNDOCUMENTED
+This means you cannot use an optional keyword that defines angle
+properties.
-E: Cannot use dump_modify fileper without % in dump file name
+E: No dihedrals allowed with this atom style
-UNDOCUMENTED
+This means you cannot use an optional keyword that defines dihedral
+properties.
-E: Cannot use dump_modify nfile without % in dump file name
+E: No impropers allowed with this atom style
-UNDOCUMENTED
+This means you cannot use an optional keyword that defines improper
+properties.
*/
diff --git a/src/domain.cpp b/src/domain.cpp
index 6788b533a5..c636ec64cc 100644
--- a/src/domain.cpp
+++ b/src/domain.cpp
@@ -648,7 +648,7 @@ void Domain::image_check()
int all;
MPI_Allreduce(&nmissing,&all,1,MPI_INT,MPI_SUM,world);
if (all && comm->me == 0)
- error->warning(FLERR,"Bond atoms missing in image check");
+ error->warning(FLERR,"Bond atom missing in image check");
}
memory->destroy(unwrap);
@@ -738,7 +738,7 @@ void Domain::box_too_small_check()
int all;
MPI_Allreduce(&nmissing,&all,1,MPI_INT,MPI_SUM,world);
if (all && comm->me == 0)
- error->warning(FLERR,"Bond atoms missing in box size check");
+ error->warning(FLERR,"Bond atom missing in box size check");
}
double maxbondall;
diff --git a/src/domain.h b/src/domain.h
index 4bd9f1a016..cd174926c0 100644
--- a/src/domain.h
+++ b/src/domain.h
@@ -200,9 +200,11 @@ inconsistent image flags will not cause problems for dynamics or most
LAMMPS simulations. However they can cause problems when such atoms
are used with the fix rigid or replicate commands.
-W: Bond atoms missing in image check
+W: Bond atom missing in image check
-UNDOCUMENTED
+The 2nd atom in a particular bond is missing on this processor.
+Typically this is because the pairwise cutoff is set too short or the
+bond has blown apart and an atom is too far away.
E: Bond atom missing in box size check
@@ -212,7 +214,9 @@ short or the bond has blown apart and an atom is too far away.
W: Bond atoms missing in box size check
-UNDOCUMENTED
+The 2nd atoms needed to compute a particular bond is missing on this
+processor. Typically this is because the pairwise cutoff is set too
+short or the bond has blown apart and an atom is too far away.
W: Bond/angle/dihedral extent > half of periodic box length
diff --git a/src/dump.cpp b/src/dump.cpp
index 5b5321119a..a94ba4af92 100644
--- a/src/dump.cpp
+++ b/src/dump.cpp
@@ -108,7 +108,7 @@ Dump::Dump(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
if (ptr = strchr(filename,'%')) {
if (strstr(style,"mpiio"))
error->all(FLERR,
- "Dump file MPI-IO output not allowed with '%' in filename");
+ "Dump file MPI-IO output not allowed with % in filename");
multiproc = 1;
nclusterprocs = 1;
filewriter = 1;
@@ -188,7 +188,7 @@ void Dump::init()
if (sort_flag) {
if (multiproc > 1)
error->all(FLERR,
- "Cannot dump sort when multiple procs write the dump file");
+ "Cannot dump sort when multiple dump files are written");
if (sortcol == 0 && atom->tag_enable == 0)
error->all(FLERR,"Cannot dump sort on atom IDs with no atom IDs defined");
if (sortcol && sortcol > size_one)
diff --git a/src/dump.h b/src/dump.h
index 52f7fd5398..e2e7275f38 100644
--- a/src/dump.h
+++ b/src/dump.h
@@ -134,13 +134,15 @@ class Dump : protected Pointers {
/* ERROR/WARNING messages:
-E: Dump file MPI-IO output not allowed with '%' in filename
+E: Dump file MPI-IO output not allowed with % in filename
-UNDOCUMENTED
+This is because a % signifies one file per processor and MPI-IO
+creates one large file for all processors.
-E: Cannot dump sort when multiple procs write the dump file
+E: Cannot dump sort when multiple dump files are written
-UNDOCUMENTED
+In this mode, each processor dumps its atoms to a file, so
+no sorting is allowed.
E: Cannot dump sort on atom IDs with no atom IDs defined
@@ -157,11 +159,12 @@ Cannot sort when running with more than 2^31 atoms.
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.
+integer for a dump.
E: Too much buffered per-proc info for dump
-UNDOCUMENTED
+The size of the buffered string must fit in a 32-bit integer for a
+dump.
E: Cannot open gzipped file
@@ -181,14 +184,14 @@ command-line option when running LAMMPS to see the offending line.
E: Dump_modify buffer yes not allowed for this style
-UNDOCUMENTED
+Self-explanatory.
E: Cannot use dump_modify fileper without % in dump file name
-UNDOCUMENTED
+Self-explanatory.
E: Cannot use dump_modify nfile without % in dump file name
-UNDOCUMENTED
+Self-explanatory.
*/
diff --git a/src/dump_cfg.h b/src/dump_cfg.h
index 5ee7b5b577..192074cd48 100755
--- a/src/dump_cfg.h
+++ b/src/dump_cfg.h
@@ -53,7 +53,8 @@ class DumpCFG : public DumpCustom {
E: Dump cfg arguments must start with 'mass type xs ys zs' or 'mass type xsu ysu zsu'
-UNDOCUMENTED
+This is a requirement of the CFG output format. See the dump cfg doc
+page for more details.
E: Dump cfg arguments can not mix xs|ys|zs with xsu|ysu|zsu
@@ -67,8 +68,4 @@ E: Dump cfg requires one snapshot per file
Use the wildcard "*" character in the filename.
-U: Dump cfg arguments must start with 'id type xs ys zs' or 'id type xsu ysu zsu'
-
-This is a requirement of the CFG output format.
-
*/
diff --git a/src/dump_custom.cpp b/src/dump_custom.cpp
index 9619214b94..1c7bf6fcc6 100644
--- a/src/dump_custom.cpp
+++ b/src/dump_custom.cpp
@@ -1218,7 +1218,7 @@ int DumpCustom::parse_fields(int narg, char **arg)
error->all(FLERR,
"Dump custom compute does not calculate per-atom vector");
if (argindex[i] > 0 && modify->compute[n]->size_peratom_cols == 0)
- error->all(FLERR,\
+ error->all(FLERR,
"Dump custom compute does not calculate per-atom array");
if (argindex[i] > 0 &&
argindex[i] > modify->compute[n]->size_peratom_cols)
diff --git a/src/dump_custom.h b/src/dump_custom.h
index 34bafdec8b..a873a97f21 100644
--- a/src/dump_custom.h
+++ b/src/dump_custom.h
@@ -240,9 +240,9 @@ E: Dump custom compute does not calculate per-atom vector
Self-explanatory.
-E: \n
+E: Dump custom compute does not calculate per-atom array
-UNDOCUMENTED
+Self-explanatory.
E: Dump custom compute vector is accessed out-of-range
@@ -339,8 +339,4 @@ E: Invalid dump_modify threshhold operator
Operator keyword used for threshold specification in not recognized.
-U: Dump custom compute does not calculate per-atom array
-
-Self-explanatory.
-
*/
diff --git a/src/fix_restrain.h b/src/fix_restrain.h
index 031b1262c5..6b77fb5751 100644
--- a/src/fix_restrain.h
+++ b/src/fix_restrain.h
@@ -86,7 +86,11 @@ The 4 atoms in a restrain dihedral specified by the fix restrain
command are not all accessible to a processor. This probably means an
atom has moved too far.
-W: Restrain problem: %d %ld
+W: Restrain problem: %d %ld %ld %ld %ld %ld
+
+UNDOCUMENTED
+
+U: Restrain problem: %d %ld
UNDOCUMENTED
diff --git a/src/neigh_bond.h b/src/neigh_bond.h
index d55011c315..a3f5a1d6f8 100644
--- a/src/neigh_bond.h
+++ b/src/neigh_bond.h
@@ -13,7 +13,7 @@
/* ERROR/WARNING messages:
-E: Bond atoms missing on proc %d at step %ld
+E: Bond atoms %ld %ld missing on proc %d at step %ld
UNDOCUMENTED
@@ -27,7 +27,7 @@ This error was detected by the neigh_modify check yes setting. It is
an error because the bond atoms are so far apart it is ambiguous how
it should be defined.
-E: Angle atoms missing on proc %d at step %ld
+E: Angle atoms %ld %ld %ld missing on proc %d at step %ld
UNDOCUMENTED
@@ -41,7 +41,7 @@ This error was detected by the neigh_modify check yes setting. It is
an error because the angle atoms are so far apart it is ambiguous how
it should be defined.
-E: Dihedral atoms missing on proc %d at step %ld
+E: Dihedral atoms %ld %ld %ld %ld missing on proc %d at step %ld
UNDOCUMENTED
@@ -55,7 +55,7 @@ This error was detected by the neigh_modify check yes setting. It is
an error because the dihedral atoms are so far apart it is ambiguous
how it should be defined.
-E: Improper atoms missing on proc %d at step %ld
+E: Improper atoms %ld %ld %ld %ld missing on proc %d at step %ld
UNDOCUMENTED
@@ -63,6 +63,22 @@ W: Improper atoms missing at step %ld
UNDOCUMENTED
+U: Bond atoms missing on proc %d at step %ld
+
+UNDOCUMENTED
+
+U: Angle atoms missing on proc %d at step %ld
+
+UNDOCUMENTED
+
+U: Dihedral atoms missing on proc %d at step %ld
+
+UNDOCUMENTED
+
+U: Improper atoms missing on proc %d at step %ld
+
+UNDOCUMENTED
+
U: Bond atoms %d %d missing on proc %d at step %ld
The 2nd atom needed to compute a particular bond is missing on this
diff --git a/src/write_dump.h b/src/write_dump.h
index be5c9f6933..e4108a4732 100644
--- a/src/write_dump.h
+++ b/src/write_dump.h
@@ -43,81 +43,85 @@ 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: Too many total bits for bitmapped lookup table
+E: Invalid dump style
+
+UNDOCUMENTED
+
+U: Too many total bits for bitmapped lookup table
Table size specified via pair_modify command is too large. Note that
a value of N generates a 2^N size table.
-E: Cannot have both pair_modify shift and tail set to yes
+U: Cannot have both pair_modify shift and tail set to yes
These 2 options are contradictory.
-E: Cannot use pair tail corrections with 2d simulations
+U: Cannot use pair tail corrections with 2d simulations
The correction factors are only currently defined for 3d systems.
-W: Using pair tail corrections with nonperiodic system
+U: Using pair tail corrections with nonperiodic system
This is probably a bogus thing to do, since tail corrections are
computed by integrating the density of a periodic system out to
infinity.
-W: Using a manybody potential with bonds/angles/dihedrals and special_bond exclusions
+U: Using a manybody potential with bonds/angles/dihedrals and special_bond exclusions
UNDOCUMENTED
-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: Pair style requres a KSpace style
+U: Pair style requres a KSpace style
UNDOCUMENTED
-E: Pair style does not support pair_write
+U: Pair style does not support pair_write
The pair style does not have a single() function, so it can
not be invoked by pair write.
-E: Invalid atom types in pair_write command
+U: Invalid atom types in pair_write command
Atom types must range from 1 to Ntypes inclusive.
-E: Invalid style in pair_write command
+U: Invalid style in pair_write command
Self-explanatory. Check the input script.
-E: Invalid cutoffs in pair_write command
+U: Invalid cutoffs in pair_write command
Inner cutoff must be larger than 0.0 and less than outer cutoff.
-E: Cannot open pair_write file
+U: Cannot open pair_write file
The specified output file for pair energies and forces cannot be
opened. Check that the path and name are correct.
-E: Bitmapped lookup tables require int/float be same size
+U: Bitmapped lookup tables require int/float be same size
Cannot use pair tables on this machine, because of word sizes. Use
the pair_modify command with table 0 instead.
-W: Table inner cutoff >= outer cutoff
+U: Table inner cutoff >= outer cutoff
You specified an inner cutoff for a Coulombic table that is longer
than the global cutoff. Probably not what you wanted.
-E: Too many exponent bits for lookup table
+U: Too many exponent bits for lookup table
Table size specified via pair_modify command does not work with your
machine's floating point representation.
-E: Too many mantissa bits for lookup table
+U: Too many mantissa bits for lookup table
Table size specified via pair_modify command does not work with your
machine's floating point representation.
-E: Too few bits for lookup table
+U: Too few bits for lookup table
Table size specified via pair_modify command does not work with your
machine's floating point representation.
--
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