From 71d102402f10b0988ddd4ad401bc915794cf03c2 Mon Sep 17 00:00:00 2001 From: Trung Nguyen Date: Mon, 19 Aug 2024 15:44:23 -0500 Subject: [PATCH] Added a paragraph to describe the regression-tests tool in Tools.rst --- doc/src/Tools.rst | 24 ++++++++++++++++++++++++ 1 file changed, 24 insertions(+) diff --git a/doc/src/Tools.rst b/doc/src/Tools.rst index 9bc9c935a7..86657fec1f 100644 --- a/doc/src/Tools.rst +++ b/doc/src/Tools.rst @@ -96,6 +96,7 @@ Miscellaneous tools * :ref:`LAMMPS GUI ` * :ref:`LAMMPS magic patterns for file(1) ` * :ref:`Offline build tool ` + * :ref:`Regression tests ` * :ref:`singularity/apptainer ` * :ref:`SWIG interface ` * :ref:`vim ` @@ -1180,6 +1181,29 @@ README for more info on Pizza.py and how to use these scripts. ---------- +.. _regression: + +Regression tests tool +-------------------------- + +The regression-tests subdirectory contains a tool for performing regression +tests with a given LAMMPS binary. The tool launches the LAMMPS binary with +any given input script under one of the `examples` subfolders, and compares +the thermo output in the generated log file with those in the provided log file +with the same number of processors ub the same subfolder. If the differences +between the actual and reference values are within specified tolerances, +the test is considered passed. For each test batch, that is, a set of example +input scripts, the mpirun command, the LAMMPS command line arguments, +and the tolerances for individual thermo quantites can be specified +in a configuration file in YAML format. + +The tool also reports if and how the run fails, and if a reference log file +is missing. See the README file for more information. + +This tool was written by Trung Nguyen at U of Chicago (ndactrung at gmail.com). + +---------- + .. _replica: replica tool