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Handled cases where log files have different thermo ouput columns than the reference log file (in.hyper.local) in subsequent runs

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This commit is contained in:
Trung Nguyen
2024-07-26 23:51:23 -05:00
parent 50bf022946
commit ab0da442a4
1 changed files with 5 additions and 5 deletions
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10
tools/regression-tests/run_tests.py
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@ -250,11 +250,12 @@ def iterate(lmp_binary, input_folder, input_list, config, results, progress_file
# process thermo output from the run
thermo = extract_data_to_yaml("log.lammps")
num_runs = len(thermo)
if "ERROR" in output or num_runs == 0:
cmd_str = "grep ERROR log.lammps"
p = subprocess.run(cmd_str, shell=True, text=True, capture_output=True)
error_line = p.stdout.split('\n')[0]
logger.info(f" The run terminated with {input_test} gives the following output:")
if len(error_line) > 0:
logger.info(f" {error_line}")
@ -327,8 +328,8 @@ def iterate(lmp_binary, input_folder, input_list, config, results, progress_file
num_fields = len(thermo[0]['keywords'])
num_fields_ref = len(thermo_ref[0]['keywords'])
if num_fields != num_fields_ref:
logger.info(f" ERROR: Number of thermo colums in log.lammps ({num_fields}) is different from that in the reference log ({num_fields_ref}) in run {irun}.")
logger.info(f" Check README in the folder for the proper mpirun command")
logger.info(f" ERROR: Number of thermo colums in log.lammps ({num_fields}) is different from that in the reference log ({num_fields_ref}) in the first run.")
logger.info(f" Check both log files for more details.")
result.status = "error, mismatched columns in the log files"
results.append(result)
progress.write(f"{input}: {{ folder: {input_folder}, status: {result.status} }}\n")
@ -363,7 +364,6 @@ def iterate(lmp_binary, input_folder, input_list, config, results, progress_file
num_fields_ref = len(thermo_ref[irun]['keywords'])
if num_fields != num_fields_ref:
logger.info(f" ERROR: Number of thermo columns in log.lammps ({num_fields}) is different from that in the reference log ({num_fields_ref}) in run {irun}.")
logger.info(f" Check README in the folder for the proper mpirun command")
mismatched_columns = True
continue
@ -422,7 +422,7 @@ def iterate(lmp_binary, input_folder, input_list, config, results, progress_file
# after all runs completed, or are interrupted in one of the runs (mismatched_columns = True)
if mismatched_columns == True:
msg = f" mismatched log file."
msg = f" mismatched log files after the first run. Check both log files for more details."
print(msg)
logger.info(msg)
result.status = "failed"