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improve error messages for run command

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This commit is contained in:
Axel Kohlmeyer
2025-07-16 17:49:15 -04:00
parent ab6de4c384
commit d1d8a019f9
1 changed files with 8 additions and 9 deletions
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17
src/run.cpp
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@ -39,7 +39,7 @@ void Run::command(int narg, char **arg)
if (narg < 1) utils::missing_cmd_args(FLERR, "run", error);
if (domain->box_exist == 0)
error->all(FLERR,"Run command before simulation box is defined" + utils::errorurl(33));
error->all(FLERR, -1, "Run command before simulation box is defined" + utils::errorurl(33));
// ignore run command, if walltime limit was already reached
@ -62,7 +62,6 @@ void Run::command(int narg, char **arg)
int iarg = 1;
while (iarg < narg) {
if (strcmp(arg[iarg],"upto") == 0) {
if (iarg+1 > narg) utils::missing_cmd_args(FLERR, "run upto", error);
uptoflag = 1;
iarg += 1;
} else if (strcmp(arg[iarg],"start") == 0) {
@ -91,13 +90,13 @@ void Run::command(int narg, char **arg)
} else if (strcmp(arg[iarg],"every") == 0) {
if (iarg+3 > narg) utils::missing_cmd_args(FLERR, "run every", error);
nevery = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
if (nevery <= 0) error->all(FLERR, "Invalid run every argument: {}", nevery);
if (nevery <= 0) error->all(FLERR, iarg + 1, "Invalid run every argument: {}", nevery);
first = iarg+2;
last = narg-1;
ncommands = last-first + 1;
if (ncommands == 1 && strcmp(arg[first],"NULL") == 0) ncommands = 0;
iarg = narg;
} else error->all(FLERR,"Unknown run keyword: {}", arg[iarg]);
} else error->all(FLERR, iarg, "Unknown run keyword: {}", arg[iarg]);
}
// set nsteps as integer, using upto value if specified
@ -105,12 +104,12 @@ void Run::command(int narg, char **arg)
int nsteps;
if (!uptoflag) {
if (nsteps_input < 0 || nsteps_input > MAXSMALLINT)
error->all(FLERR,"Invalid run command N value: {}", nsteps_input);
error->all(FLERR, Error::ARGZERO, "Invalid run command N value: {}", nsteps_input);
nsteps = static_cast<int> (nsteps_input);
} else {
bigint delta = nsteps_input - update->ntimestep;
if (delta < 0 || delta > MAXSMALLINT)
error->all(FLERR,"Invalid run command upto value: {}", delta);
error->all(FLERR, Error::ARGZERO, "Invalid run command upto value: {}. Must be >= {}", nsteps_input, update->ntimestep);
nsteps = static_cast<int> (delta);
}
@ -118,15 +117,15 @@ void Run::command(int narg, char **arg)
if (startflag) {
if (start < 0)
error->all(FLERR,"Invalid run command start value: {}", start);
error->all(FLERR, "Invalid run command start value: {}", start);
if (start > update->ntimestep)
error->all(FLERR,"Run command start value is after start of run");
error->all(FLERR, "Run command start value {} is after start of run at step {}", start, update->ntimestep);
}
if (stopflag) {
if (stop < 0)
error->all(FLERR,"Invalid run command stop value: {}", stop);
if (stop < update->ntimestep + nsteps)
error->all(FLERR,"Run command stop value is before end of run");
error->all(FLERR,"Run command stop value {} is before end of run at step {}", stop, update->ntimestep + nsteps);
}
if (!preflag && utils::strmatch(update->integrate_style,"^respa"))