Added more detailed output

This commit is contained in:
Trung Nguyen
2024-08-10 17:52:10 -05:00
parent 1617870fc3
commit 6b0f529c0b

View File

@ -283,9 +283,10 @@ def iterate(lmp_binary, input_folder, input_list, config, results, progress_file
config['nprocs'] = saved_nprocs
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" ERROR: no Step nor Loop in the output.\n")
logger.info(f"\n{input_test}:")
logger.info(f"\n{error}")
logger.info(f"\n Output:\n{output}")
logger.info(f"\n Error:\n{error}")
progress.write(f"{input}: {{ folder: {input_folder}, status: \"error, no Step nor Loop in the output.\" }}\n")
progress.close()
num_error = num_error + 1
@ -306,6 +307,7 @@ def iterate(lmp_binary, input_folder, input_list, config, results, progress_file
else:
result.status = f"error, see output."
logger.info(f" Output:")
logger.info(f" {output}")
logger.info(f" Failed with {input_test}.\n")
num_error = num_error + 1
@ -319,9 +321,10 @@ def iterate(lmp_binary, input_folder, input_list, config, results, progress_file
# 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}")
logger.info(f" ERROR: No log.lammps generated with {input_test} with return code {returncode}.\n")
logger.info(f" Output:")
logger.info(f" {output}")
logger.info(f" Error:\n{error}")
progress.write(f"{input}: {{ folder: {input_folder}, status: \"error, no log.lammps\" }}\n")
progress.close()
num_error = num_error + 1
@ -446,7 +449,8 @@ def iterate(lmp_binary, input_folder, input_list, config, results, progress_file
num_fields = len(thermo[irun]['keywords'])
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" ERROR: Number of thermo columns in log.lammps ({num_fields})")
logger.info(f" is different from that in the reference log ({num_fields_ref}) in run {irun}.")
mismatched_columns = True
continue