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Handled error runs where log.lammps is not created (e.g. using more MPI procs than the number of physical CPUs)

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This commit is contained in:
Trung Nguyen
2024-07-08 17:19:57 -05:00
parent 0b3de48ef0
commit 170c12d5df
1 changed files with 49 additions and 42 deletions
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33
tools/regression-tests/run_tests.py
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@ -199,12 +199,7 @@ def execute(lmp_binary, config, input_file_name, generate_ref_yaml=False):
print(f"Executing: {cmd_str}")
p = subprocess.run(cmd_str, shell=True, text=True, capture_output=True)
#output = p.stdout.split('\n')
output = p.stdout
# process output to handle failed runs
return cmd_str, output
return cmd_str, p.stdout, p.stderr, p.returncode
'''
attempt to plug in the REG markers before each run command
@ -333,12 +328,17 @@ def iterate(lmp_binary, input_list, config, results, removeAnnotatedInput=False)
# lmp.file(input_test)
# or more customizable with config.yaml
cmd_str, output = execute(lmp_binary, config, input_test)
cmd_str, output, error, returncode = execute(lmp_binary, config, input_test)
# restore the nprocs value in the configuration
config['nprocs'] = saved_nprocs
# process thermo output
if returncode != 0:
print(f"ERROR: Failed with {input_test}. Check the log file for the run output.\n")
logger.info(f"\n{error}")
continue
thermo = extract_data_to_yaml("log.lammps")
num_runs = len(thermo)
@ -469,9 +469,6 @@ def iterate(lmp_binary, input_list, config, results, removeAnnotatedInput=False)
'''
if __name__ == "__main__":
logger = logging.getLogger(__name__)
logging.basicConfig(filename='run.log', level=logging.INFO)
# default values
lmp_binary = ""
configFileName = "config.yaml"
@ -479,18 +476,20 @@ if __name__ == "__main__":
genref = False
verbose = False
output_file = "output.xml"
log_file = "run.log"
# parse the arguments
parser = ArgumentParser()
parser.add_argument("--lmp-bin", dest="lmp_binary", default="", help="LAMMPS binary")
parser.add_argument("--config-file", dest="config_file", default="config.yaml",
parser.add_argument("--config-file", dest="config_file", default=configFileName,
help="Configuration YAML file")
parser.add_argument("--example-folders", dest="example_folders", default="", help="Example subfolders")
parser.add_argument("--gen-ref",dest="genref", action='store_true', default=False,
help="Generating reference data")
parser.add_argument("--verbose",dest="verbose", action='store_true', default=False,
help="Verbose output")
parser.add_argument("--output",dest="output", default="output.xml", help="Output file")
parser.add_argument("--output",dest="output", default=output_file, help="Output file")
parser.add_argument("--logfile",dest="logfile", default=log_file, help="Log file")
args = parser.parse_args()
@ -503,6 +502,11 @@ if __name__ == "__main__":
print(example_subfolders)
genref = args.genref
verbose = args.verbose
log_file = args.logfile
# logging
logger = logging.getLogger(__name__)
logging.basicConfig(filename=log_file, level=logging.INFO, filemode="w")
# read in the configuration of the tests
with open(configFileName, 'r') as f:
@ -530,7 +534,7 @@ if __name__ == "__main__":
inplace_input = True
test_cases = []
# if the example folders are not specified from the command-line argument -example-folders
# if the example folders are not specified from the command-line argument --example-folders
if len(example_subfolders) == 0:
example_subfolders.append("../../examples/melt")
example_subfolders.append('../../examples/flow')
@ -595,6 +599,9 @@ if __name__ == "__main__":
if 'RIGID' in packages:
example_subfolders.append('../../examples/rigid')
if 'SNAP' in packages:
example_subfolders.append('../../examples/snap')
if 'SRD' in packages:
example_subfolders.append('../../examples/srd')