diff --git a/src/compute_pe.cpp b/src/compute_pe.cpp index f4207408f9..8b80f909d2 100644 --- a/src/compute_pe.cpp +++ b/src/compute_pe.cpp @@ -35,8 +35,8 @@ using namespace LAMMPS_NS; ComputePE::ComputePE(LAMMPS *lmp, int narg, char **arg) : Compute(lmp, narg, arg) { - if (narg < 3) error->all(FLERR, "Illegal compute pe command"); - if (igroup) error->all(FLERR, "Compute pe must use group all"); + if (narg < 3) utils::missing_cmd_args(FLERR, "compute pe", error); + if (igroup) error->all(FLERR, 1, "Compute pe must use group all"); scalar_flag = 1; extscalar = 1; @@ -70,7 +70,7 @@ ComputePE::ComputePE(LAMMPS *lmp, int narg, char **arg) : Compute(lmp, narg, arg else if (strcmp(arg[iarg], "fix") == 0) fixflag = 1; else - error->all(FLERR, "Illegal compute pe command"); + error->all(FLERR, iarg, "Unknown compute pe keyword {}", arg[iarg]); iarg++; } } @@ -85,7 +85,7 @@ double ComputePE::compute_scalar() { invoked_scalar = update->ntimestep; if (update->eflag_global != invoked_scalar) - error->all(FLERR, "Energy was not tallied on needed timestep"); + error->all(FLERR, Error::NOLASTLINE, "Energy was not tallied on needed timestep"); double one = 0.0; if (pairflag && force->pair) one += force->pair->eng_vdwl + force->pair->eng_coul; diff --git a/src/compute_pressure.cpp b/src/compute_pressure.cpp index 65cb612390..55c2fdb1be 100644 --- a/src/compute_pressure.cpp +++ b/src/compute_pressure.cpp @@ -40,7 +40,7 @@ ComputePressure::ComputePressure(LAMMPS *lmp, int narg, char **arg) : Compute(lmp, narg, arg), vptr(nullptr), id_temp(nullptr), pstyle(nullptr) { if (narg < 4) utils::missing_cmd_args(FLERR,"compute pressure", error); - if (igroup) error->all(FLERR,"Compute pressure must use group all"); + if (igroup) error->all(FLERR, 1, "Compute pressure must use group all"); scalar_flag = vector_flag = 1; size_vector = 6; @@ -58,9 +58,9 @@ ComputePressure::ComputePressure(LAMMPS *lmp, int narg, char **arg) : id_temp = utils::strdup(arg[3]); auto icompute = modify->get_compute_by_id(id_temp); if (!icompute) - error->all(FLERR,"Could not find compute pressure temperature ID {}", id_temp); + error->all(FLERR, 3, "Could not find compute pressure temperature ID {}", id_temp); if (!icompute->tempflag) - error->all(FLERR,"Compute pressure temperature ID {} does not compute temperature", id_temp); + error->all(FLERR, 3, "Compute pressure temperature ID {} does not compute temperature", id_temp); } // process optional args diff --git a/src/compute_vacf.cpp b/src/compute_vacf.cpp index 813a28dff6..6847c7b5eb 100644 --- a/src/compute_vacf.cpp +++ b/src/compute_vacf.cpp @@ -27,7 +27,7 @@ using namespace LAMMPS_NS; ComputeVACF::ComputeVACF(LAMMPS *lmp, int narg, char **arg) : Compute(lmp, narg, arg), id_fix(nullptr) { - if (narg < 3) error->all(FLERR, "Illegal compute vacf command"); + if (narg > 2) error->all(FLERR, 3, "Compute vacf does not accept any arguments"); vector_flag = 1; size_vector = 4; diff --git a/src/fix_nve.cpp b/src/fix_nve.cpp index 58a5677b92..c96454fe92 100644 --- a/src/fix_nve.cpp +++ b/src/fix_nve.cpp @@ -33,7 +33,7 @@ FixNVE::FixNVE(LAMMPS *lmp, int narg, char **arg) : auto plain_style = utils::strip_style_suffix(style, lmp); if (utils::strmatch(plain_style, "^nve$") && narg > 3) - error->all(FLERR, "Unsupported additional arguments for fix {}", style); + error->all(FLERR, 3, "Unsupported additional arguments for fix {}", style); dynamic_group_allow = 1; time_integrate = 1; diff --git a/src/modify.cpp b/src/modify.cpp index 89cc1d0643..9908b96d79 100644 --- a/src/modify.cpp +++ b/src/modify.cpp @@ -262,11 +262,13 @@ void Modify::init() for (i = 0; i < nfix; i++) if (!fix[i]->dynamic_group_allow && group->dynamic[fix[i]->igroup]) - error->all(FLERR, "Fix {} does not allow use with a dynamic group", fix[i]->style); + error->all(FLERR, Error::NOLASTLINE, "Fix {} does not allow use with a dynamic group", + fix[i]->style); for (i = 0; i < ncompute; i++) if (!compute[i]->dynamic_group_allow && group->dynamic[compute[i]->igroup]) - error->all(FLERR, "Compute {} does not allow use with a dynamic group", compute[i]->style); + error->all(FLERR, Error::NOLASTLINE, "Compute {} does not allow use with a dynamic group", + compute[i]->style); // warn if any particle is time integrated more than once @@ -834,13 +836,13 @@ Fix *Modify::add_fix(int narg, char **arg, int trysuffix) for (m = 0; exceptions[m] != nullptr; m++) if (strcmp(arg[2], exceptions[m]) == 0) break; if (exceptions[m] == nullptr) - error->all(FLERR, "Fix {} command before simulation box is defined", arg[2]); + error->all(FLERR, 2, "Fix {} command before simulation box is defined", arg[2]); } // check group ID int igroup = group->find(arg[1]); - if (igroup == -1) error->all(FLERR, "Could not find fix group ID {}", arg[1]); + if (igroup == -1) error->all(FLERR, 1, "Could not find fix group ID {}", arg[1]); // if fix ID exists: // set newflag = 0 so create new fix in same location in fix list @@ -874,7 +876,7 @@ Fix *Modify::add_fix(int narg, char **arg, int trysuffix) if (estyle == fix[ifix]->style) match = 1; } } - if (!match) error->all(FLERR, "Replacing a fix, but new style != old style"); + if (!match) error->all(FLERR, 2, "Replacing a fix, but new style != old style"); if (fix[ifix]->igroup != igroup && comm->me == 0) error->warning(FLERR, "Replacing a fix, but new group != old group"); @@ -921,7 +923,8 @@ Fix *Modify::add_fix(int narg, char **arg, int trysuffix) fix[ifix] = fix_creator(lmp, narg, arg); } - if (fix[ifix] == nullptr) error->all(FLERR, utils::check_packages_for_style("fix", arg[2], lmp)); + if (fix[ifix] == nullptr) + error->all(FLERR, 2, utils::check_packages_for_style("fix", arg[2], lmp)); // increment nfix and update fix_list vector (if new) @@ -1244,7 +1247,8 @@ Compute *Modify::add_compute(int narg, char **arg, int trysuffix) // error check - if (get_compute_by_id(arg[0])) error->all(FLERR, "Reuse of compute ID '{}'", arg[0]); + if (get_compute_by_id(arg[0])) + error->all(FLERR, Error::ARGZERO, "Reuse of compute ID '{}'", arg[0]); // extend Compute list if necessary