ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Fixed issues with empty output, thus no Step nor Loop

Browse Source
This commit is contained in:
Trung Nguyen
2024-08-05 23:40:05 -05:00
parent c6eb1fb9dd
commit f21dec8b06
1 changed files with 18 additions and 8 deletions
Download Patch File Download Diff File Expand all files Collapse all files

26
tools/regression-tests/run_tests.py
View File

@ -279,20 +279,15 @@ def iterate(lmp_binary, input_folder, input_list, config, results, progress_file
# restore the nprocs value in the configuration
config['nprocs'] = saved_nprocs
# check if a log.lammps file exists in the current folder
if os.path.isfile("log.lammps") == False:
logger.info(f" ERROR: No log.lammps generated with {input_test} with return code {returncode}. Check the {log_file} for the run output.\n")
if "Step" not in output or "Loop" not in output:
logger.info(f" ERROR: no Step nor Loop in the output failed. Check the {log_file} for the run output.\n")
logger.info(f"\n{input_test}:")
logger.info(f"\n{error}")
progress.write(f"{input}: {{ folder: {input_folder}, status: \"error, no log.lammps\" }}\n")
progress.write(f"{input}: {{ folder: {input_folder}, status: \"error, no Step nor Loop in the output.\" }}\n")
progress.close()
num_error = num_error + 1
test_id = test_id + 1
continue
else:
# save a copy of the log file
cmd_str = f"cp log.lammps log.{basename}.{nprocs}"
p = subprocess.run(cmd_str, shell=True, text=True, capture_output=True)
# check if the output contains ERROR
if "ERROR" in output:
@ -319,6 +314,21 @@ def iterate(lmp_binary, input_folder, input_list, config, results, progress_file
test_id = test_id + 1
continue
# check if a log.lammps file exists in the current folder
if os.path.isfile("log.lammps") == False:
logger.info(f" ERROR: No log.lammps generated with {input_test} with return code {returncode}. Check the {log_file} for the run output.\n")
logger.info(f"\n{input_test}:")
logger.info(f"\n{error}")
progress.write(f"{input}: {{ folder: {input_folder}, status: \"error, no log.lammps\" }}\n")
progress.close()
num_error = num_error + 1
test_id = test_id + 1
continue
else:
# save a copy of the log file
cmd_str = f"cp log.lammps log.{basename}.{nprocs}"
p = subprocess.run(cmd_str, shell=True, text=True, capture_output=True)
# process thermo output in log.lammps from the run
thermo = extract_data_to_yaml("log.lammps")
num_runs = len(thermo)