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fix issues with invalid subfolders, with total walltime reference that may be zero, with the output of progress.yaml for easy parsing to dictionaries, modify config_kokkos.yaml for testing with the OpenMP backend

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This commit is contained in:
Trung Nguyen
2024-10-07 12:01:59 -05:00
parent 224468d946
commit 84c1492ce6
2 changed files with 28 additions and 16 deletions
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5
tools/regression-tests/config_kokkos.yaml
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@ -1,7 +1,7 @@
--- ---
lmp_binary: "" lmp_binary: ""
nprocs: "4" nprocs: "2"
args: "-cite none -k on g 1 -sf kk -pk kokkos newton on neigh half" args: "-cite none -k on t 2 -sf kk -pk kokkos newton on neigh half"
mpiexec: "mpirun" mpiexec: "mpirun"
mpiexec_numproc_flag: "-np" mpiexec_numproc_flag: "-np"
tolerance: tolerance:
@ -29,5 +29,6 @@
abs: 1e-2 abs: 1e-2
rel: 1e-4 rel: 1e-4
timeout: 180
nugget: 1.0 nugget: 1.0
epsilon: 1e-16 epsilon: 1e-16

39
tools/regression-tests/run_tests.py
View File

@ -187,7 +187,7 @@ def iterate(lmp_binary, input_folder, input_list, config, results, progress_file
msg = " + " + input + f" ({test_id+1}/{num_tests}): skipped as specified in {configFileName}" msg = " + " + input + f" ({test_id+1}/{num_tests}): skipped as specified in {configFileName}"
print(msg) print(msg)
logger.info(msg) logger.info(msg)
progress.write(f"{input}: {{ folder: {input_folder}, status: \"skipped\", walltime: {walltime} }}\n") progress.write(f"{{ '{input}': {{ 'folder': '{input_folder}', 'status': 'skipped', 'walltime': '{walltime}' }} }}\n")
progress.close() progress.close()
num_skipped = num_skipped + 1 num_skipped = num_skipped + 1
test_id = test_id + 1 test_id = test_id + 1
@ -205,7 +205,7 @@ def iterate(lmp_binary, input_folder, input_list, config, results, progress_file
msg = " + " + input + f" ({test_id+1}/{num_tests}): skipped as specified in {configFileName}" msg = " + " + input + f" ({test_id+1}/{num_tests}): skipped as specified in {configFileName}"
print(msg) print(msg)
logger.info(msg) logger.info(msg)
progress.write(f"{input}: {{ folder: {input_folder}, status: \"skipped\", walltime: {walltime} }}\n") progress.write(f"{{ '{input}': {{ 'folder': {input_folder}, 'status': 'skipped', 'walltime': '{walltime}' }} }}\n")
progress.close() progress.close()
num_skipped = num_skipped + 1 num_skipped = num_skipped + 1
test_id = test_id + 1 test_id = test_id + 1
@ -352,7 +352,7 @@ def iterate(lmp_binary, input_folder, input_list, config, results, progress_file
results.append(result) results.append(result)
print(f"{result.status}") print(f"{result.status}")
msg = f"{input}: {{ folder: {input_folder}, status: \"{result.status}\", walltime: {walltime} }}\n" msg = f"{{ '{input}': {{ 'folder': '{input_folder}', 'status': '{result.status}', 'walltime': '{walltime}' }} }}\n"
progress.write(msg) progress.write(msg)
progress.close() progress.close()
failure.write(msg) failure.write(msg)
@ -369,7 +369,7 @@ def iterate(lmp_binary, input_folder, input_list, config, results, progress_file
logger.info(f" {output}") logger.info(f" {output}")
logger.info(f" Error:\n{error}") logger.info(f" Error:\n{error}")
msg = f"{input}: {{ folder: {input_folder}, status: \"failed, no log file generated\", walltime: {walltime} }}\n" msg = f"{{ '{input}': {{ 'folder': '{input_folder}', 'status': 'failed, no log file generated', 'walltime': '{walltime}' }} }}\n"
progress.write(msg) progress.write(msg)
progress.close() progress.close()
failure.write(msg) failure.write(msg)
@ -399,7 +399,7 @@ def iterate(lmp_binary, input_folder, input_list, config, results, progress_file
result.status = msg result.status = msg
results.append(result) results.append(result)
msg = f"{input}: {{ folder: {input_folder}, status: \"{msg}\", walltime: {walltime} }}\n" msg = f"{{ '{input}': {{ 'folder': '{input_folder}', status: \"{msg}\", 'walltime': '{walltime}' }} }}\n"
progress.write(msg) progress.write(msg)
progress.close() progress.close()
failure.write(msg) failure.write(msg)
@ -418,7 +418,7 @@ def iterate(lmp_binary, input_folder, input_list, config, results, progress_file
logger.info(f"\n Output:\n{output}") logger.info(f"\n Output:\n{output}")
logger.info(f"\n Error:\n{error}") logger.info(f"\n Error:\n{error}")
msg = f"{input}: {{ folder: {input_folder}, status: \"failed, no Total wall time in the output, {error}\", walltime: {walltime} }}\n" msg = f"{{ '{input}': {{ 'folder': '{input_folder}', 'status': 'failed, no Total wall time in the output, {error}', 'walltime': '{walltime}' }} }}\n"
progress.write(msg) progress.write(msg)
progress.close() progress.close()
failure.write(msg) failure.write(msg)
@ -449,7 +449,7 @@ def iterate(lmp_binary, input_folder, input_list, config, results, progress_file
logger.info(f"\n Output:\n{output}") logger.info(f"\n Output:\n{output}")
logger.info(f"\n Error:\n{error}") logger.info(f"\n Error:\n{error}")
msg = f"{input}: {{ folder: {input_folder}, status: \"completed, but no Step nor Loop in the output.\", walltime: {walltime}, walltime_norm: {walltime_norm} }}\n" msg = f"{{ '{input}': {{ 'folder': '{input_folder}', 'status': 'completed, but no Step nor Loop in the output.', 'walltime': '{walltime}', 'walltime_norm': '{walltime_norm}' }} }}\n"
progress.write(msg) progress.write(msg)
progress.close() progress.close()
failure.write(msg) failure.write(msg)
@ -477,7 +477,7 @@ def iterate(lmp_binary, input_folder, input_list, config, results, progress_file
result.status = msg + f", error parsing {logfilename} into YAML" result.status = msg + f", error parsing {logfilename} into YAML"
results.append(result) results.append(result)
progress.write(f"{input}: {{ folder: {input_folder}, status: \"{result.status}\", walltime: {walltime}, walltime_norm: {walltime_norm} }}\n") progress.write(f"{{ '{input}': {{ 'folder': '{input_folder}', 'status': '{result.status}', 'walltime': '{walltime}', 'walltime_norm': '{walltime_norm}' }} }}\n")
progress.close() progress.close()
if verbose == True: if verbose == True:
@ -499,7 +499,7 @@ def iterate(lmp_binary, input_folder, input_list, config, results, progress_file
logger.info(f" failed, error parsing the reference log file {thermo_ref_file}.") logger.info(f" failed, error parsing the reference log file {thermo_ref_file}.")
result.status = "skipped numerical checks due to parsing the reference log file" result.status = "skipped numerical checks due to parsing the reference log file"
results.append(result) results.append(result)
progress.write(f"{input}: {{ folder: {input_folder}, status: \"completed, numerical checks skipped, unsupported log file format\", walltime: {walltime}, walltime_norm: {walltime_norm} }}\n") progress.write(f"{{ '{input}': {{ 'folder': '{input_folder}', 'status': 'completed, numerical checks skipped, unsupported log file format', 'walltime': '{walltime}', 'walltime_norm': '{walltime_norm}' }} }}\n")
progress.close() progress.close()
num_completed = num_completed + 1 num_completed = num_completed + 1
num_error = num_error + 1 num_error = num_error + 1
@ -521,7 +521,7 @@ def iterate(lmp_binary, input_folder, input_list, config, results, progress_file
result.status = "skipped due to missing the reference log file" result.status = "skipped due to missing the reference log file"
results.append(result) results.append(result)
msg = f"{input}: {{ folder: {input_folder}, status: \"completed, numerical checks skipped due to missing the reference log file\", walltime: {walltime}, walltime_norm: {walltime_norm} }}\n" msg = f"{{ '{input}': {{ 'folder': '{input_folder}', 'status': 'completed, numerical checks skipped due to missing the reference log file', 'walltime': '{walltime}', 'walltime_norm': '{walltime_norm}' }} }}\n"
progress.write(msg) progress.write(msg)
progress.close() progress.close()
failure.write(msg) failure.write(msg)
@ -539,7 +539,7 @@ def iterate(lmp_binary, input_folder, input_list, config, results, progress_file
" Check README in the folder, possibly due to using mpirun with partitions or parsing the wrong reference log file.") " Check README in the folder, possibly due to using mpirun with partitions or parsing the wrong reference log file.")
result.status = "failed, incomplete runs" result.status = "failed, incomplete runs"
results.append(result) results.append(result)
progress.write(f"{input}: {{ folder: {input_folder}, status: \"{result.status}\", walltime: {walltime}, walltime_norm: {walltime_norm} }}\n") progress.write(f"{{ '{input}': {{ 'folder': '{input_folder}', 'status': '{result.status}', 'walltime': '{walltime}', 'walltime_norm': '{walltime_norm}' }} }}\n")
progress.close() progress.close()
num_error = num_error + 1 num_error = num_error + 1
test_id = test_id + 1 test_id = test_id + 1
@ -555,7 +555,7 @@ def iterate(lmp_binary, input_folder, input_list, config, results, progress_file
logger.info(f" Check both log files for more details.") logger.info(f" Check both log files for more details.")
result.status = "failed, mismatched columns in the log files" result.status = "failed, mismatched columns in the log files"
results.append(result) results.append(result)
progress.write(f"{input}: {{ folder: {input_folder}, status: \"{result.status}\", walltime: {walltime}, walltime_norm: {walltime_norm} }}\n") progress.write(f"{{ '{input}': {{ 'folder': '{input_folder}', 'status': '{result.status}', 'walltime': '{walltime}', 'walltime_norm': '{walltime_norm}' }} }}\n")
progress.close() progress.close()
num_error = num_error + 1 num_error = num_error + 1
test_id = test_id + 1 test_id = test_id + 1
@ -691,12 +691,12 @@ def iterate(lmp_binary, input_folder, input_list, config, results, progress_file
msg += ", memory leaks detected" msg += ", memory leaks detected"
num_memleak = num_memleak + 1 num_memleak = num_memleak + 1
progress.write(f"{input}: {{ folder: {input_folder}, status: \"{msg}\", failed_checks: {{ {result.status} }}, walltime: {walltime}, walltime_norm: {walltime_norm} }}\n") progress.write(f"{{ '{input}': {{ 'folder': '{input_folder}', 'status': '{msg}', 'failed_checks': {{ '{result.status}' }}, 'walltime': '{walltime}', 'walltime_norm': '{walltime_norm}' }} }}\n")
progress.close() progress.close()
# write to failure if there is any numerical failed check # write to failure if there is any numerical failed check
if num_abs_failed > 0 or num_rel_failed > 0: if num_abs_failed > 0 or num_rel_failed > 0:
failure.write(f"{input}: {{ folder: {input_folder}, status: \"{msg}\", failed_checks: {{ {result.status} }}, walltime: {walltime}, walltime_norm: {walltime_norm} }}\n") failure.write(f"{{ '{input}': {{ 'folder': '{input_folder}', 'status': '{msg}', 'failed_checks': '{{ '{result.status}' }}, 'walltime': '{walltime}', 'walltime_norm': '{walltime_norm}' }} }}\n")
# count the number of completed runs # count the number of completed runs
num_completed = num_completed + 1 num_completed = num_completed + 1
@ -940,6 +940,14 @@ def get_reference_walltime(lmp_binary, config):
minutes = float(hms[1]) minutes = float(hms[1])
seconds = float(hms[2]) seconds = float(hms[2])
walltime = hours * 3600.0 + minutes * 60.0 + seconds walltime = hours * 3600.0 + minutes * 60.0 + seconds
if "Loop time" in line:
looptime_str = line.split(' ')[3]
seconds = float(looptime_str)
looptime = seconds
# there is case where total walltime with in.lj is reported as zero seconds, then use loop time
if float(walltime) < float(config['epsilon']):
walltime = looptime
logger.info(f" Reference walltime, sec = {walltime}") logger.info(f" Reference walltime, sec = {walltime}")
@ -1456,6 +1464,9 @@ if __name__ == "__main__":
for directory in example_subfolders: for directory in example_subfolders:
if os.path.exists(directory) is False:
continue
# change to the directory where the input script and data files are located # change to the directory where the input script and data files are located
print("-"*80) print("-"*80)
print("Entering " + directory) print("Entering " + directory)