Switched the order of the checks for ERROR in the output to be first

This commit is contained in:
Trung Nguyen
2024-08-12 09:59:58 -05:00
parent 6b0f529c0b
commit bbd72a8960

View File

@ -11,8 +11,11 @@ With the current features, users can:
+ specify the examples subfolders (thus the reference log files) seperately (e.g. from other LAMMPS versions or commits)
+ specify tolerances for individual quantities for any input script to override the global values
+ launch tests with `mpirun` with all supported command line features (multiple procs, multiple paritions, and suffices)
+ skip certain input files if not interested, or no reference log file exists
+ skip certain input files (whose names match specified patterns) if not interested, or packaged not installed, or no reference log file exists
+ simplify the main LAMMPS builds, as long as a LAMMPS binary is available
+ keep track of the testing progress to resume the testing from the last checkpoint (skipping completed runs)
+ distribute the input list across multiple processes via multiprocessing, or
split the list of input scripts into separate runs (there are 800+ input script under the top-level examples)
Limitations:
- input scripts use thermo style multi (e.g., examples/peptide) do not work with the expected thermo output format
@ -20,9 +23,6 @@ Limitations:
- testing accelerator packages (GPU, INTEL, KOKKOS, OPENMP) need separate config files, "args: -sf omp -pk omp 4"
TODO:
+ keep track of the testing progress to resume the testing from the last checkpoint
+ distribute the input list across multiple processes via multiprocessing, or
split the list of input scripts into separate runs (there are 800+ input script under the top-level examples)
+ be able to be invoked from run_tests in the lammps-testing infrastruture
The following Python packages need to be installed into an activated environment:
@ -282,17 +282,6 @@ def iterate(lmp_binary, input_folder, input_list, config, results, progress_file
# restore the nprocs value in the configuration
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.\n")
logger.info(f"\n{input_test}:")
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
test_id = test_id + 1
continue
# check if the output contains ERROR
if "ERROR" in output:
cmd_str = "grep ERROR log.lammps"
@ -319,6 +308,18 @@ def iterate(lmp_binary, input_folder, input_list, config, results, progress_file
test_id = test_id + 1
continue
# if there is no ERROR in the output, then there is something irregular in the run
if "Step" not in output or "Loop" not in output:
logger.info(f" ERROR: no Step nor Loop in the output.\n")
logger.info(f"\n{input_test}:")
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
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}.\n")