skip in.min.box, ensure that input lists only contain unique entries

This commit is contained in:
Trung Nguyen
2024-10-13 08:21:00 -05:00
parent 3e64966800
commit c735dc7d53
3 changed files with 11 additions and 6 deletions

View File

@ -305,8 +305,8 @@ def iterate(lmp_binary, input_folder, input_list, config, results, progress_file
config['nprocs'] = str(max_np)
else:
# otherwise use the nprocs value in the configuration file (4 for most examples)
logger.info(f" Using nprocs {config['nprocs']} nprocs for {input_test} as specified in the config file.")
logger.info(f" The maximum number of procs in the log files is {max_np}.")
logger.info(f" Using {config['nprocs']} nprocs for {input_test} as enforced in the config file.")
logger.info(f" WARNING: The maximum number of procs found from the reference log files is {max_np}.")
# store the value of nprocs to name the generated log file
nprocs = int(config['nprocs'])