Loading src/CLASS2/dihedral_class2.h +5 −1 Original line number Diff line number Diff line Loading @@ -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 Loading @@ -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 Loading src/CLASS2/improper_class2.h +5 −1 Original line number Diff line number Diff line Loading @@ -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 Loading @@ -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 Loading src/GPU/pair_sw_gpu.h +21 −5 Original line number Diff line number Diff line Loading @@ -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. Loading src/GRANULAR/fix_pour.h +209 −73 Original line number Diff line number Diff line Loading @@ -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 Loading src/MANYBODY/pair_lcbop.h +49 −25 Original line number Diff line number Diff line Loading @@ -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 Loading @@ -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 Loading Loading
src/CLASS2/dihedral_class2.h +5 −1 Original line number Diff line number Diff line Loading @@ -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 Loading @@ -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 Loading
src/CLASS2/improper_class2.h +5 −1 Original line number Diff line number Diff line Loading @@ -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 Loading @@ -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 Loading
src/GPU/pair_sw_gpu.h +21 −5 Original line number Diff line number Diff line Loading @@ -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. Loading
src/GRANULAR/fix_pour.h +209 −73 Original line number Diff line number Diff line Loading @@ -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 Loading
src/MANYBODY/pair_lcbop.h +49 −25 Original line number Diff line number Diff line Loading @@ -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 Loading @@ -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 Loading
