Validating LAMMPS installations?


Is there any suite of tests for LAMMPS other than the items in the examples and bench directories? For example, are there any tests used internally by the developers before releasing a new version of the code? I’m interested in something that’s automated, or possible to automate, to run a quick validation check on new or updated LAMMPS installations on medium to large clusters.

Failing that, is picking an arbitrary allowable margin of error for each example/benchmark and using a script to grep the output of the examples/benchmarks versus their reference results the only solution? My background is in HPC rather than thorough domain knowledge of LAMMPS and what margin of variation in the example/benchmark results is reasonable.



The short answer to your question is no.

If you want a long answer, contact me off list.