Updated README with example uses, added progress file option
This commit is contained in:
Trung Nguyen
@ -14,7 +14,7 @@ The output and error of any crashed runs are logged.
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A test with an input script is considered passed when the given LAMMPS binary produces
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thermo output quantities consistent with those in the reference log file
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within the specified tolerances in the test configuration `.yaml` file.
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within the specified tolerances in the test configuration `config.yaml` file.
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With the current features, users can:
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@ -48,32 +48,31 @@ The following Python packages need to be installed into an activated environment
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Example uses:
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1) Simple use with the provided `tools/regression-tests/config.yaml` and the `examples/` folder at the top level:
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1) Simple use (using the provided tools/regression-tests/config.yaml and the examples/ folder at the top level)
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python3 run_tests.py --lmp-bin=/path/to/lmp_binary
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2) Use a custom testing configuration
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python3 run_tests.py --lmp-bin=/path/to/lmp_binary --config-file=/path/to/config/file/config.yaml
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3) Specify a list of example folders with a modified configuration (e.g. different tolerances)
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3) Specify a list of example folders
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python3 run_tests.py --lmp-bin=/path/to/lmp_binary --config-file=/path/to/config/file/config.yaml \
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--example-folders="/path/to/examples/folder1;/path/to/examples/folder2"
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python3 run_tests.py --lmp-bin=/path/to/lmp_binary \
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--example-folders="/path/to/examples/folder1;/path/to/examples/folder2" \
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--config-file=/path/to/config/file/config.yaml
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The example folders can also be loaded from a text file list_subfolders1.txt:
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python3 run_tests.py --lmp-bin=/path/to/lmp_binary --config-file=/path/to/config/file/config.yaml \
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--list-input=list_subfolders1.txt --output-file=output1.txt --progress-file=progress1.yaml \
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--log-file=run1.log
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4) Test a LAMMPS binary with the whole top-level /examples folder in a LAMMPS source tree
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python3 run_tests.py --lmp-bin=/path/to/lmp_binary --example-top-level=/path/to/lammps/examples
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5) Specify a list of example folders from a text file to test, writing the results to output1.xml and
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logging to run1.log
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5) Analyze (dry run) the LAMMPS binary annd whole top-level /examples folder in a LAMMPS source tree
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and generate separate input lists for 8 workers:
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python3 run_tests.py --lmp-bin=/path/to/lmp_binary --example-top-level=/path/to/lammps/examples \
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--dry-run --num-workers=8
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python3 run_tests.py --lmp-bin=/path/to/lmp_binary --list-input=list_subfolders1.txt \
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--output=output1.xml --logfile=run1.log
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This is used for splitting the subfolders into separate input lists and launching
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different instances of run_tests.py simultaneously.
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This is used for splitting the subfolders into separate input lists and launching different instances
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of run_tests.py simultaneously.
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An example of the test configuration `config.yaml` is given as below.
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@ -16,7 +16,7 @@ With the current features, users can:
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Limitations:
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- input scripts use thermo style multi (e.g., examples/peptide) do not work with the expected thermo output format
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- input scripts that require partition runs (e.g. examples/neb) need a separate config file, e.g. "args: --partition 2x1"
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- input scripts that require partition runs (e.g. examples/neb) need a separate config file, e.g. "args: --partition 3x1"
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- testing accelerator packages (GPU, INTEL, KOKKOS, OPENMP) need separate config files, "args: -sf omp -pk omp 4"
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TODO:
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@ -32,16 +32,32 @@ The following Python packages need to be installed into an activated environment
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pip install numpy pyyaml junit_xml
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Example usage:
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1) Simple use (using the provided tools/regression-tests/config.yaml and the examples/ folder at the top level)
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python3 run_tests.py --lmp-bin=/path/to/lmp_binary
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2) Use a custom testing configuration
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python3 run_tests.py --lmp-bin=/path/to/lmp_binary --config-file=/path/to/config/file/config.yaml
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3) Specify a list of example folders with a modifed configuration (e.g. different tolerances)
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python3 run_tests.py --lmp-bin=/path/to/lmp_binary \
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--example-folders="/path/to/examples/folder1;/path/to/examples/folder2" \
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--config-file=/path/to/config/file/config.yaml
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3) Specify a list of example folders
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python3 run_tests.py --lmp-bin=/path/to/lmp_binary --config-file=/path/to/config/file/config.yaml \
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--example-folders="/path/to/examples/folder1;/path/to/examples/folder2"
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The example folders can also be loaded from a text file list_subfolders1.txt:
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python3 run_tests.py --lmp-bin=/path/to/lmp_binary --config-file=/path/to/config/file/config.yaml \
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--list-input=list_subfolders1.txt --output-file=output1.txt --progress-file=progress1.yaml \
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--log-file=run1.log
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4) Test a LAMMPS binary with the whole top-level /examples folder in a LAMMPS source tree
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python3 run_tests.py --lmp-bin=/path/to/lmp_binary --example-top-level=/path/to/lammps/examples
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5) Analyze (dry run) the LAMMPS binary annd whole top-level /examples folder in a LAMMPS source tree
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and generate separate input lists for 8 workers:
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python3 run_tests.py --lmp-bin=/path/to/lmp_binary --example-top-level=/path/to/lammps/examples \
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--dry-run --num-workers=8
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This is used for splitting the subfolders into separate input lists and launching different instances
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of run_tests.py simultaneously.
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'''
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import os
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@ -603,6 +619,7 @@ if __name__ == "__main__":
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genref = False
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verbose = False
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output_file = "output.xml"
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progress_file = "progress.yaml"
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log_file = "run.log"
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list_input = ""
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dry_run = False
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@ -625,8 +642,9 @@ if __name__ == "__main__":
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help="Verbose output")
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parser.add_argument("--resume",dest="resume", action='store_true', default=False,
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help="Resume the test run")
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parser.add_argument("--output",dest="output", default=output_file, help="Output file")
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parser.add_argument("--logfile",dest="logfile", default=log_file, help="Log file")
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parser.add_argument("--output-file",dest="output", default=output_file, help="Output file")
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parser.add_argument("--log-file",dest="logfile", default=log_file, help="Log file")
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parser.add_argument("--progress-file",dest="progress_file", default=progress_file, help="Progress file")
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parser.add_argument("--dry-run",dest="dry_run", action='store_true', default=False,
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help="Only report statistics, not running the tests")
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@ -650,6 +668,7 @@ if __name__ == "__main__":
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log_file = args.logfile
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dry_run = args.dry_run
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resume = args.resume
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progress_file = args.progress_file
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# logging
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logger = logging.getLogger(__name__)
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@ -757,18 +776,18 @@ if __name__ == "__main__":
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pwd = os.path.abspath(pwd)
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print("\nWorking directory: " + pwd)
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progress_file = pwd + "/progress.yaml"
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progress_file_abs = pwd + "/" + progress_file
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last_progress = {}
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if resume == False:
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progress = open(progress_file, "w")
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progress = open(progress_file_abs, "w")
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progress.close()
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else:
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try:
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progress = open(progress_file, "r")
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progress = open(progress_file_abs, "r")
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last_progress = yaml.load(progress, Loader=Loader)
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progress.close()
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except Exception:
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print(f"Cannot open progress file {progress_file} to resume, rerun all the tests")
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print(f"Cannot open progress file {progress_file_abs} to resume, rerun all the tests")
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# default setting is to use inplace_input
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if inplace_input == True:
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@ -804,7 +823,7 @@ if __name__ == "__main__":
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# iterate through the input scripts
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results = []
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num_passed = iterate(lmp_binary, directory, input_list, config, results, progress_file, last_progress)
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num_passed = iterate(lmp_binary, directory, input_list, config, results, progress_file_abs, last_progress)
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passed_tests += num_passed
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# append the results to the all_results list
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@ -818,13 +837,13 @@ if __name__ == "__main__":
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input_list=['in.lj']
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total_tests = len(input_list)
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results = []
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passed_tests = iterate(lmp_binary, pwd, input_list, config, results, progress_file)
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passed_tests = iterate(lmp_binary, pwd, input_list, config, results, progress_file_abs)
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all_results.extend(results)
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# print out summary
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print("\nSummary:")
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print(f" - {passed_tests} numerical tests passed / {total_tests} tests")
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print(f" - {passed_tests} numerical tests passed / {total_tests} tests run")
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print(f" - Test results in JUnit XML format are given in {output_file}.")
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print(f" - Progress is given in {progress_file}.\n")
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