Checks

A check runs your input with the engine without taking a timestep. The engine reads every command, creates the box and atoms, sets up the force field, and stops. Errors a real run would hit in its first second show up in the check instead, on the line that caused them.

What a check changes

verlet checks a copy of the script, rewritten so nothing runs and nothing is written. For LAMMPS:

• run N becomes run 0.
• minimize gets its iteration and evaluation limits set to 0.
• Commands that write files are commented out: write_data, write_restart, write_dump, restart, log, echo, dump, dump_modify, undump.

Line numbers stay the same, so problems point at your own lines. The check runs in the input’s own directory, so data files and potentials read by relative path are found.

Where checks run

On the default environment, with its executable, which should be the build you will run with: an input can be valid for one build and not another, for example when a package is missing. A check longer than 60 seconds is stopped.

Problems

Each problem shows the line (and the file, for included files), the engine’s message, the command as the engine read it and after variable substitution, the engine source location that raised it, and a link to the manual page.

The Problems tab lists them; F8 jumps to the next in the editor. Output shows everything the engine printed. Help shows the manual page of the command under the cursor; see The script editor.

When checks happen

• On every Save. A version is only made if the check passes.
• When you press Check on a saved version.
• After each draft the agent writes.