diff --git a/src/CLASS2/dihedral_class2.h b/src/CLASS2/dihedral_class2.h index 43ccac1e87..c55a740300 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 %ld %ld %ld %ld +W: 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/CLASS2/improper_class2.h b/src/CLASS2/improper_class2.h index db5cf9113e..33ddd8cde0 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 %ld %ld %ld %ld +W: Improper problem: %d %ld %d %d %d %d Conformation of the 4 listed improper atoms is extreme; you may want to check your simulation geometry. diff --git a/src/KIM/pair_kim.cpp b/src/KIM/pair_kim.cpp index 97ff4a536d..0d1a736136 100644 --- a/src/KIM/pair_kim.cpp +++ b/src/KIM/pair_kim.cpp @@ -1025,7 +1025,7 @@ void PairKIM::write_descriptor(char** test_descriptor_string) { // allocate memory if (*test_descriptor_string != 0) - error->all(FLERR, "test_descriptor_string already allocated"); + error->all(FLERR, "Test_descriptor_string already allocated"); // assuming 75 lines at 100 characters each (should be plenty) *test_descriptor_string = new char[100*75]; // initialize diff --git a/src/KSPACE/msm.cpp b/src/KSPACE/msm.cpp index 6b1fd822b4..c7dd91e083 100644 --- a/src/KSPACE/msm.cpp +++ b/src/KSPACE/msm.cpp @@ -1005,7 +1005,8 @@ void MSM::set_grid_global() } if (flag && gridflag && me == 0) - error->warning(FLERR,"Number of MSM mesh points changed to be a multiple of 2"); + error->warning(FLERR, + "Number of MSM mesh points changed to be a multiple of 2"); // adjust Coulombic cutoff to give desired error (if requested) diff --git a/src/KSPACE/pppm_disp.cpp b/src/KSPACE/pppm_disp.cpp index 76f14138e1..250f26c3a1 100755 --- a/src/KSPACE/pppm_disp.cpp +++ b/src/KSPACE/pppm_disp.cpp @@ -516,7 +516,8 @@ void PPPMDisp::init() // adjust g_ewald_6 - if (!gewaldflag_6 && accuracy_kspace_6 == accuracy_real_6) adjust_gewald_6(); + if (!gewaldflag_6 && accuracy_kspace_6 == accuracy_real_6) + adjust_gewald_6(); // calculate the final accuracy @@ -3640,7 +3641,7 @@ void PPPMDisp::set_n_pppm_6() // break loop if the accuracy has been reached or too many loops have been performed if (df_kspace <= acc_kspace) break; - if (count > 500) error->all(FLERR, "Could not compute grid size for Dispersion!"); + if (count > 500) error->all(FLERR, "Could not compute grid size for Dispersion"); h *= 0.95; h_x = h_y = h_z = h; } diff --git a/src/MANYBODY/pair_tersoff.h b/src/MANYBODY/pair_tersoff.h index f88a7623d2..a60d18fd71 100755 --- a/src/MANYBODY/pair_tersoff.h +++ b/src/MANYBODY/pair_tersoff.h @@ -158,8 +158,8 @@ pair_coeff command before running a simulation. E: Cannot open Tersoff potential file %s -The specified Tersoff potential file cannot be opened. Check that the -path and name are correct. +The specified potential file cannot be opened. Check that the path +and name are correct. E: Incorrect format in Tersoff potential file diff --git a/src/MANYBODY/pair_tersoff_mod.h b/src/MANYBODY/pair_tersoff_mod.h index d2c545b25c..326216ae7f 100644 --- a/src/MANYBODY/pair_tersoff_mod.h +++ b/src/MANYBODY/pair_tersoff_mod.h @@ -82,8 +82,8 @@ class PairTersoffMOD : public PairTersoff { E: Cannot open Tersoff potential file %s -The specified potential file cannot be opened. Check that the -path and name are correct. +The specified potential file cannot be opened. Check that the path +and name are correct. E: Incorrect format in Tersoff potential file diff --git a/src/MANYBODY/pair_tersoff_zbl.h b/src/MANYBODY/pair_tersoff_zbl.h index 01e296e92c..983b3ade4e 100755 --- a/src/MANYBODY/pair_tersoff_zbl.h +++ b/src/MANYBODY/pair_tersoff_zbl.h @@ -57,8 +57,8 @@ This is a current restriction of this pair potential. E: Cannot open Tersoff potential file %s -The specified Tersoff potential file cannot be opened. Check that the -path and name are correct. +The specified potential file cannot be opened. Check that the path +and name are correct. E: Incorrect format in Tersoff potential file diff --git a/src/MISC/fix_deposit.cpp b/src/MISC/fix_deposit.cpp index 371feda868..6ea10735e2 100644 --- a/src/MISC/fix_deposit.cpp +++ b/src/MISC/fix_deposit.cpp @@ -108,7 +108,7 @@ FixDeposit::FixDeposit(LAMMPS *lmp, int narg, char **arg) : if (atom->molecular == 2 && onemol != atom->avec->onemols[0]) error->all(FLERR,"Fix deposit molecule template ID must be same " - "as atom style template ID"); + "as atom_style template ID"); onemol->check_attributes(0); // fix deposit uses geoemetric center of molecule for insertion diff --git a/src/MISC/fix_deposit.h b/src/MISC/fix_deposit.h index 3022f57180..7537105ac2 100644 --- a/src/MISC/fix_deposit.h +++ b/src/MISC/fix_deposit.h @@ -115,7 +115,7 @@ 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: Fix deposit molecule template ID must be same as atom_style template ID +E: Fix deposit molecule template ID must be same as atom style template ID When using atom_style template, you cannot deposit molecules that are not in that template. diff --git a/src/MOLECULE/bond_fene.h b/src/MOLECULE/bond_fene.h index bc5d15473b..9b12f3a09b 100644 --- a/src/MOLECULE/bond_fene.h +++ b/src/MOLECULE/bond_fene.h @@ -52,7 +52,7 @@ class BondFENE : public Bond { /* ERROR/WARNING messages: -W: FENE bond too long: %ld %ld %ld %g +W: 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 96b685f404..d25b0edfb0 100644 --- a/src/MOLECULE/bond_fene_expand.h +++ b/src/MOLECULE/bond_fene_expand.h @@ -52,7 +52,7 @@ class BondFENEExpand : public Bond { /* ERROR/WARNING messages: -W: FENE bond too long: %ld %ld %ld %g +W: 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/dihedral_charmm.h b/src/MOLECULE/dihedral_charmm.h index 0f9af45470..a35d342145 100644 --- a/src/MOLECULE/dihedral_charmm.h +++ b/src/MOLECULE/dihedral_charmm.h @@ -52,7 +52,7 @@ class DihedralCharmm : public Dihedral { /* ERROR/WARNING messages: -W: Dihedral problem: %d %ld %ld %ld %ld %ld +W: 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 150a94ac72..69d4fb22cd 100644 --- a/src/MOLECULE/dihedral_harmonic.h +++ b/src/MOLECULE/dihedral_harmonic.h @@ -49,7 +49,7 @@ class DihedralHarmonic : public Dihedral { /* ERROR/WARNING messages: -W: Dihedral problem: %d %ld %ld %ld %ld %ld +W: 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 753852941b..1e34ff4712 100644 --- a/src/MOLECULE/dihedral_helix.h +++ b/src/MOLECULE/dihedral_helix.h @@ -47,7 +47,7 @@ class DihedralHelix : public Dihedral { /* ERROR/WARNING messages: -W: Dihedral problem: %d %ld %ld %ld %ld %ld +W: 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 1fd54ad318..c833168139 100644 --- a/src/MOLECULE/dihedral_multi_harmonic.h +++ b/src/MOLECULE/dihedral_multi_harmonic.h @@ -47,7 +47,7 @@ class DihedralMultiHarmonic : public Dihedral { /* ERROR/WARNING messages: -W: Dihedral problem: %d %ld %ld %ld %ld %ld +W: 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 c53dca322f..238a67cf3c 100644 --- a/src/MOLECULE/dihedral_opls.h +++ b/src/MOLECULE/dihedral_opls.h @@ -48,7 +48,7 @@ class DihedralOPLS : public Dihedral { /* ERROR/WARNING messages: -W: Dihedral problem: %d %ld %ld %ld %ld %ld +W: 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 633383c891..7717fe7b64 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 %ld %ld %ld %ld +W: Improper problem: %d %ld %d %d %d %d Conformation of the 4 listed improper atoms is extreme; you may want to check your simulation geometry. diff --git a/src/MOLECULE/improper_harmonic.h b/src/MOLECULE/improper_harmonic.h index 69cc38ad57..58b7ebe1cf 100644 --- a/src/MOLECULE/improper_harmonic.h +++ b/src/MOLECULE/improper_harmonic.h @@ -48,13 +48,17 @@ class ImproperHarmonic : public Improper { /* ERROR/WARNING messages: -W: Improper problem: %d %ld %ld %ld %ld %ld +W: Improper problem: %d %ld %d %d %d %d -Conformation of the 4 listed improper atoms is extreme; you may want -to check your simulation geometry. +UNDOCUMENTED E: Incorrect args for improper coefficients Self-explanatory. Check the input script or data file. +U: Improper problem: %d %ld %ld %ld %ld %ld + +Conformation of the 4 listed improper atoms is extreme; you may want +to check your simulation geometry. + */ diff --git a/src/MOLECULE/improper_umbrella.h b/src/MOLECULE/improper_umbrella.h index c724b644a2..3d005aa105 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 %ld %ld %ld %ld +W: Improper problem: %d %ld %d %d %d %d Conformation of the 4 listed improper atoms is extreme; you may want to check your simulation geometry. diff --git a/src/RIGID/fix_rigid_small.h b/src/RIGID/fix_rigid_small.h index 5b2f5db3c8..377425b80b 100644 --- a/src/RIGID/fix_rigid_small.h +++ b/src/RIGID/fix_rigid_small.h @@ -288,7 +288,11 @@ E: Cannot open fix rigid restart file %s The specified file cannot be opened. Check that the path and name are correct. -E: Rigid body atoms %ld %ld missing on proc %d at step %ld +E: Rigid body atoms %d %d missing on proc %d at step %ld + +UNDOCUMENTED + +U: Rigid body atoms %ld %ld missing on proc %d at step %ld This means that an atom cannot find the atom that owns the rigid body it is part of, or vice versa. The solution is to use the communicate diff --git a/src/RIGID/fix_shake.h b/src/RIGID/fix_shake.h index e35bb43eaa..e96e426faf 100644 --- a/src/RIGID/fix_shake.h +++ b/src/RIGID/fix_shake.h @@ -206,23 +206,17 @@ 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 %ld %ld missing on proc %d at step %ld +E: Shake atoms %d %d missing on proc %d at step %ld -The 2 atoms in a single shake cluster specified by the fix shake -command are not all accessible to a processor. This probably means -an atom has moved too far. +UNDOCUMENTED -E: Shake atoms %ld %ld %ld missing on proc %d at step %ld +E: Shake atoms %d %d %d missing on proc %d at step %ld -The 3 atoms in a single shake cluster specified by the fix shake -command are not all accessible to a processor. This probably means -an atom has moved too far. +UNDOCUMENTED -E: Shake atoms %ld %ld %ld %ld missing on proc %d at step %ld +E: Shake atoms %d %d %d %d missing on proc %d at step %ld -The 4 atoms in a single shake cluster specified by the fix shake -command are not all accessible to a processor. This probably means -an atom has moved too far. +UNDOCUMENTED E: Did not find fix shake partner info @@ -252,4 +246,22 @@ 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 %ld %ld missing on proc %d at step %ld + +The 2 atoms in a single shake cluster specified by the fix shake +command are not all accessible to a processor. This probably means +an atom has moved too far. + +U: Shake atoms %ld %ld %ld missing on proc %d at step %ld + +The 3 atoms in a single shake cluster specified by the fix shake +command are not all accessible to a processor. This probably means +an atom has moved too far. + +U: Shake atoms %ld %ld %ld %ld missing on proc %d at step %ld + +The 4 atoms in a single shake cluster specified by the fix shake +command are not all accessible to a processor. This probably means +an atom has moved too far. + */ diff --git a/src/SRD/fix_srd.h b/src/SRD/fix_srd.h index 6fc88d71b6..7520f45f1a 100644 --- a/src/SRD/fix_srd.h +++ b/src/SRD/fix_srd.h @@ -335,15 +335,17 @@ 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 %ld started inside big particle %ld on step %ld bounce %d +E: 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 -warning. +UNDOCUMENTED -W: SRD particle %ld started inside big particle %ld on step %ld bounce %d +W: 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 -warning. +UNDOCUMENTED + +W: SRD particle %d started inside big particle %d on step %ld bounce %d + +UNDOCUMENTED E: Bad quadratic solve for particle/line collision @@ -417,4 +419,14 @@ W: Fix srd particles may move > big particle diameter This may cause accuracy problems. +U: SRD particle %ld started inside big particle %ld on step %ld bounce %d + +See the inside keyword if you want this message to be an error vs +warning. + +U: SRD particle %ld started inside big particle %ld on step %ld bounce %d + +See the inside keyword if you want this message to be an error vs +warning. + */ diff --git a/src/XTC/xdr_compat.h b/src/XTC/xdr_compat.h index 89d5ad36cf..ac318aa58c 100644 --- a/src/XTC/xdr_compat.h +++ b/src/XTC/xdr_compat.h @@ -221,94 +221,8 @@ extern void xdr_free (xdrproc_t __proc, char *__objp); } #endif - #endif /* XDR_COMPAT_H */ /* ERROR/WARNING messages: -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: 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 - -These 2 options are contradictory. - -E: 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 - -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 - -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: Pair style requres a KSpace style - -UNDOCUMENTED - -E: 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 - -Atom types must range from 1 to Ntypes inclusive. - -E: Invalid style in pair_write command - -Self-explanatory. Check the input script. - -E: 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 - -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 - -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 - -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 - -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 - -Table size specified via pair_modify command does not work with your -machine's floating point representation. - -E: Too few bits for lookup table - -Table size specified via pair_modify command does not work with your -machine's floating point representation. - */ diff --git a/src/atom.h b/src/atom.h index 87a9ca6e65..15ce88f08b 100644 --- a/src/atom.h +++ b/src/atom.h @@ -333,9 +333,7 @@ Either all atoms IDs must be zero or none of them. E: New atom IDs exceed maximum allowed ID -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. +See the setting for tagint in the src/lmptype.h file. E: Incorrect atom format in data file diff --git a/src/create_box.h b/src/create_box.h index 3675fbf856..ffb77cc2c9 100644 --- a/src/create_box.h +++ b/src/create_box.h @@ -49,7 +49,8 @@ A simulation box can only be defined once. E: Cannot run 2d simulation with nonperiodic Z dimension -There is a conflict between the dimension and boundary commands. +Use the boundary command to make the z dimension periodic in order to +run a 2d simulation. E: Create_box region ID does not exist @@ -62,22 +63,18 @@ such a region with the create_box command. E: No bonds allowed with this atom style -This means you cannot use an optional keyword that defines bond -properties. +Self-explanatory. E: No angles allowed with this atom style -This means you cannot use an optional keyword that defines angle -properties. +Self-explanatory. E: No dihedrals allowed with this atom style -This means you cannot use an optional keyword that defines dihedral -properties. +Self-explanatory. E: No impropers allowed with this atom style -This means you cannot use an optional keyword that defines improper -properties. +Self-explanatory. */ diff --git a/src/dump.h b/src/dump.h index e2e7275f38..41d8d5c38a 100644 --- a/src/dump.h +++ b/src/dump.h @@ -159,7 +159,7 @@ 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 a dump. +integer for dump. E: Too much buffered per-proc info for dump diff --git a/src/dump_custom.h b/src/dump_custom.h index a873a97f21..87753095cb 100644 --- a/src/dump_custom.h +++ b/src/dump_custom.h @@ -192,13 +192,12 @@ Self-explantory. E: Dump_modify format string is too short -There are more fields to be dumped in a line of output than -your format string specifies. +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 -The compute ID needed by dump custom to compute a per-atom quantity -does not exist. +Self-explanatory. E: Could not find dump custom fix ID diff --git a/src/fix_restrain.h b/src/fix_restrain.h index 8804e3c98c..e7bb5118c2 100644 --- a/src/fix_restrain.h +++ b/src/fix_restrain.h @@ -86,7 +86,7 @@ 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 %ld %ld %ld %ld +W: Restrain 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/neigh_bond.h b/src/neigh_bond.h index ad28ab5ac7..c9a1e9317a 100644 --- a/src/neigh_bond.h +++ b/src/neigh_bond.h @@ -13,7 +13,7 @@ /* ERROR/WARNING messages: -E: Bond atoms %ld %ld missing on proc %d at step %ld +E: Bond atoms %d %d missing on proc %d at step %ld The 2nd atom needed to compute a particular bond is missing on this processor. Typically this is because the pairwise cutoff is set too @@ -31,7 +31,7 @@ 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 %ld %ld %ld missing on proc %d at step %ld +E: Angle atoms %d %d %d missing on proc %d at step %ld One or more of 3 atoms needed to compute a particular angle are missing on this processor. Typically this is because the pairwise @@ -51,7 +51,7 @@ 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 %ld %ld %ld %ld missing on proc %d at step %ld +E: Dihedral atoms %d %d %d %d missing on proc %d at step %ld One or more of 4 atoms needed to compute a particular dihedral are missing on this processor. Typically this is because the pairwise @@ -71,7 +71,7 @@ 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 %ld %ld %ld %ld missing on proc %d at step %ld +E: Improper atoms %d %d %d %d missing on proc %d at step %ld One or more of 4 atoms needed to compute a particular improper are missing on this processor. Typically this is because the pairwise diff --git a/src/read_data.h b/src/read_data.h index 7ac51b068d..8d83cfeb06 100644 --- a/src/read_data.h +++ b/src/read_data.h @@ -345,19 +345,19 @@ See the setting for bigint in the src/lmptype.h file. E: No bonds allowed with this atom style -Self-explanatory. Check data file. +Self-explanatory. E: No angles allowed with this atom style -Self-explanatory. Check data file. +Self-explanatory. E: No dihedrals allowed with this atom style -Self-explanatory. Check data file. +Self-explanatory. E: No impropers allowed with this atom style -Self-explanatory. Check data file. +Self-explanatory. E: Bonds defined but no bond types diff --git a/src/thermo.h b/src/thermo.h index 4d909f3031..149f98dd16 100644 --- a/src/thermo.h +++ b/src/thermo.h @@ -385,12 +385,4 @@ You are using a thermo keyword that requires potentials to have tallied energy, but they didn't on this timestep. See the variable doc page for ideas on how to make this work. -U: Thermo keyword requires lattice be defined - -The xlat, ylat, zlat keywords refer to lattice properties. - -U: Thermo keyword in variable requires lattice be defined - -The xlat, ylat, zlat keywords refer to lattice properties. - */ diff --git a/src/variable.h b/src/variable.h index 13e80e6c6f..52c9a6a1ee 100644 --- a/src/variable.h +++ b/src/variable.h @@ -420,6 +420,6 @@ Self-explanatory. See the atom_modify command to create a map. E: Invalid atom ID in variable file -Self-explanatory. +Self-explanatory. */ diff --git a/src/write_restart.cpp b/src/write_restart.cpp index 81f5eb2a6e..422462c2bd 100644 --- a/src/write_restart.cpp +++ b/src/write_restart.cpp @@ -144,7 +144,7 @@ void WriteRestart::multiproc_options(int multiproc_caller, int mpiioflag_caller, if (multiproc && mpiioflag) error->all(FLERR, - "Restart file MPI-IO output not allowed with '%' in filename"); + "Restart file MPI-IO output not allowed with % in filename"); if (mpiioflag) { mpiio = new RestartMPIIO(lmp); diff --git a/src/write_restart.h b/src/write_restart.h index ff42f5d709..b0a9971ab8 100644 --- a/src/write_restart.h +++ b/src/write_restart.h @@ -85,10 +85,9 @@ Self-explanatory. Check the input script syntax and compare to the documentation for the command. You can use -echo screen as a command-line option when running LAMMPS to see the offending line. -E: Restart file MPI-IO output not allowed with % in filename +E: Restart file MPI-IO output not allowed with '%' in filename -This is because a % signifies one file per processor and MPI-IO -creates one large file for all processors. +UNDOCUMENTED E: Writing to MPI-IO filename when MPIIO package is not installed @@ -111,4 +110,9 @@ E: Cannot open restart file %s Self-explanatory. +U: Restart file MPI-IO output not allowed with % in filename + +This is because a % signifies one file per processor and MPI-IO +creates one large file for all processors. + */