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This commit is contained in:
Trung Nguyen
2024-07-09 08:22:37 -05:00
parent 170c12d5df
commit a72cffd198
1 changed files with 114 additions and 110 deletions
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220
tools/regression-tests/run_tests.py
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@ -13,6 +13,9 @@ UPDATE: July 5, 2024:
+ simplify the build configuration (no need to build the Python module) + simplify the build configuration (no need to build the Python module)
+ specify tolerances for individual quantities for any input script to override the global values + specify tolerances for individual quantities for any input script to override the global values
TODO:
+ distribute the input list across multiple processes via multiprocessing
Example usage: Example usage:
1) Simple use (using the provided tools/regression-tests/config.yaml and the examples/ folder at the top level) 1) Simple use (using the provided tools/regression-tests/config.yaml and the examples/ folder at the top level)
python3 run_tests.py --lmp-bin=/path/to/lmp_binary python3 run_tests.py --lmp-bin=/path/to/lmp_binary
@ -103,48 +106,48 @@ def extract_thermo(yamlFileName):
return a YAML data structure as if loaded from a thermo yaml file return a YAML data structure as if loaded from a thermo yaml file
''' '''
def extract_data_to_yaml(inputFileName): def extract_data_to_yaml(inputFileName):
with open(inputFileName, 'r') as file: with open(inputFileName, 'r') as file:
data = file.read() data = file.read()
lines = data.splitlines() lines = data.splitlines()
reading = False
data = []
docs = ""
for line in lines:
if "Step" in line:
line.strip()
keywords = line.split()
reading = True
docs += "---\n"
docs += str("keywords: [")
for word in enumerate(keywords):
docs += "'" + word[1] + "', "
docs += "]\n"
docs += "data:\n"
if "Loop" in line:
reading = False reading = False
docs += "...\n" data = []
docs = ""
for line in lines:
if "Step" in line:
line.strip()
keywords = line.split()
reading = True
docs += "---\n"
docs += str("keywords: [")
for word in enumerate(keywords):
docs += "'" + word[1] + "', "
docs += "]\n"
docs += "data:\n"
if "Loop" in line:
reading = False
docs += "...\n"
if reading == True and "Step" not in line: if reading == True and "Step" not in line:
if "WARNING" in line: if "WARNING" in line:
continue continue
data = line.split() data = line.split()
docs += " - [" docs += " - ["
for field in enumerate(data): for field in enumerate(data):
docs += field[1] + ", " docs += field[1] + ", "
docs += "]\n" docs += "]\n"
# load the docs into a YAML data struture # load the docs into a YAML data struture
#print(docs)
try: try:
yaml_struct = yaml.load_all(docs, Loader=Loader) yaml_struct = yaml.load_all(docs, Loader=Loader)
thermo = list(yaml_struct) thermo = list(yaml_struct)
except yaml.YAMLError as exc: except yaml.YAMLError as exc:
if hasattr(exc, 'problem_mark'): if hasattr(exc, 'problem_mark'):
mark = exc.problem_mark mark = exc.problem_mark
print(f"Error parsing {inputFileName} at line {mark.line}, column {mark.column+1}.") print(f"Error parsing {inputFileName} at line {mark.line}, column {mark.column+1}.")
else: else:
print (f"Something went wrong while parsing {inputFileName}.") print (f"Something went wrong while parsing {inputFileName}.")
print(docs) print(docs)
return thermo return thermo
''' '''
@ -157,33 +160,33 @@ def get_lammps_build_configuration(lmp_binary):
packages = "" packages = ""
reading = False reading = False
row = 0 row = 0
for l in output: for line in output:
if l != "": if line != "":
if l == "Installed packages:": if line == "Installed packages:":
reading = True reading = True
n = row n = row
if "List of individual style options" in l: if "List of individual style options" in line:
reading = False reading = False
if reading == True and row > n: if reading == True and row > n:
packages += l.strip() + " " packages += line.strip() + " "
if "OS:" in l: if "OS:" in line:
operating_system = l operating_system = line
if "Git info" in l: if "Git info" in line:
GitInfo = l GitInfo = line
row += 1 row += 1
packages = packages.strip() packages = packages.strip()
row = 0 row = 0
compile_flags = "" compile_flags = ""
for l in output: for line in output:
if l != "": if line != "":
if "-DLAMMPS" in l: if "-DLAMMPS" in line:
compile_flags += " " + l.strip() compile_flags += " " + line.strip()
row += 1 row += 1
return packages.split(" "), operating_system, GitInfo, compile_flags return packages.split(" "), operating_system, GitInfo, compile_flags
@ -253,34 +256,34 @@ def iterate(lmp_binary, input_list, config, results, removeAnnotatedInput=False)
# skip the input file if listed # skip the input file if listed
if 'skip' in config: if 'skip' in config:
if input in config['skip']: if input in config['skip']:
continue continue
str_t = "\nRunning " + input + f" ({test_id+1}/{num_tests})" str_t = "\nRunning " + input + f" ({test_id+1}/{num_tests})"
result = TestResult(name=input, output="", time="", status="passed") result = TestResult(name=input, output="", time="", status="passed")
if using_markers == True: if using_markers == True:
input_test = 'test.' + input input_test = 'test.' + input
if os.path.isfile(input) == True: if os.path.isfile(input) == True:
if has_markers(input): if has_markers(input):
process_markers(input, input_test) process_markers(input, input_test)
else: else:
print(f"WARNING: {input} does not have REG markers") print(f"WARNING: {input} does not have REG markers")
input_markers = input + '.markers' input_markers = input + '.markers'
# if the input file with the REG markers does not exist # if the input file with the REG markers does not exist
# attempt to plug in the REG markers before each run command # attempt to plug in the REG markers before each run command
if os.path.isfile(input_markers) == False: if os.path.isfile(input_markers) == False:
cmd_str = "cp " + input + " " + input_markers cmd_str = "cp " + input + " " + input_markers
os.system(cmd_str) os.system(cmd_str)
generate_markers(input, input_markers) generate_markers(input, input_markers)
process_markers(input_markers, input_test) process_markers(input_markers, input_test)
str_t = "\nRunning " + input_test + f" ({test_id+1}/{num_tests})" str_t = "\nRunning " + input_test + f" ({test_id+1}/{num_tests})"
else: else:
input_test = input input_test = input
print(str_t) print(str_t)
print(f"-"*len(str_t)) print(f"-"*len(str_t))
@ -293,12 +296,12 @@ def iterate(lmp_binary, input_list, config, results, removeAnnotatedInput=False)
pattern = f'log.*.{basename}.*' pattern = f'log.*.{basename}.*'
max_np = 1 max_np = 1
for file in os.listdir('.'): for file in os.listdir('.'):
if fnmatch.fnmatch(file, pattern): if fnmatch.fnmatch(file, pattern):
p = file.rsplit('.', 1) p = file.rsplit('.', 1)
if max_np < int(p[1]): if max_np < int(p[1]):
max_np = int(p[1]) max_np = int(p[1])
logfile_exist = True logfile_exist = True
thermo_ref_file = file thermo_ref_file = file
# if the maximum number of procs is different from the value in the configuration file # if the maximum number of procs is different from the value in the configuration file
# then override the setting for this input script # then override the setting for this input script
@ -333,25 +336,25 @@ def iterate(lmp_binary, input_list, config, results, removeAnnotatedInput=False)
# restore the nprocs value in the configuration # restore the nprocs value in the configuration
config['nprocs'] = saved_nprocs config['nprocs'] = saved_nprocs
# process thermo output # process error code from the run
if returncode != 0: if returncode != 0:
print(f"ERROR: Failed with {input_test}. Check the log file for the run output.\n") print(f"ERROR: Failed with {input_test}. Check the log file for the run output.\n")
logger.info(f"\n{error}") logger.info(f"\n{error}")
continue continue
# process thermo output
thermo = extract_data_to_yaml("log.lammps") thermo = extract_data_to_yaml("log.lammps")
num_runs = len(thermo) num_runs = len(thermo)
if num_runs == 0: if num_runs == 0:
print(f"ERROR: Failed with {input_test}. Check the log file for the run output.\n") print(f"ERROR: Failed with {input_test}. Check the log file for the run output.\n")
#print(f"{output}")
logger.info(f"The run terminated with the following output:\n") logger.info(f"The run terminated with the following output:\n")
logger.info(f"\n{output}") logger.info(f"\n{output}")
result.status = "error" result.status = "error"
results.append(result) results.append(result)
continue continue
print(f"Comparing thermo output from log.lammps with the reference log file {thermo_ref_file}") print(f"Comparing thermo output from log.lammps against the reference log file {thermo_ref_file}")
if num_runs != num_runs_ref: if num_runs != num_runs_ref:
print(f"ERROR: Number of runs in log.lammps ({num_runs}) is not the same as that in the reference log ({num_runs_ref})") print(f"ERROR: Number of runs in log.lammps ({num_runs}) is not the same as that in the reference log ({num_runs_ref})")
result.status = "error" result.status = "error"
@ -606,43 +609,44 @@ if __name__ == "__main__":
example_subfolders.append('../../examples/srd') example_subfolders.append('../../examples/srd')
all_results = [] all_results = []
# default setting
if inplace_input == True: if inplace_input == True:
# save current working dir # save current working dir
p = subprocess.run("pwd", shell=True, text=True, capture_output=True) p = subprocess.run("pwd", shell=True, text=True, capture_output=True)
pwd = p.stdout.split('\n')[0] pwd = p.stdout.split('\n')[0]
pwd = os.path.abspath(pwd) pwd = os.path.abspath(pwd)
print("Working directory: " + pwd) print("Working directory: " + pwd)
# change dir to a folder under examples/, need to use os.chdir() # change dir to a folder under examples/, need to use os.chdir()
# TODO: loop through the subfolders under examples/, depending on the installed packages # TODO: loop through the subfolders under examples/, depending on the installed packages
total_tests = 0 total_tests = 0
passed_tests = 0 passed_tests = 0
for directory in example_subfolders: for directory in example_subfolders:
p = subprocess.run("pwd", shell=True, text=True, capture_output=True) p = subprocess.run("pwd", shell=True, text=True, capture_output=True)
print("\nEntering " + directory) print("\nEntering " + directory)
os.chdir(directory) os.chdir(directory)
cmd_str = "ls in.*" cmd_str = "ls in.*"
p = subprocess.run(cmd_str, shell=True, text=True, capture_output=True) p = subprocess.run(cmd_str, shell=True, text=True, capture_output=True)
input_list = p.stdout.split('\n') input_list = p.stdout.split('\n')
input_list.remove('') input_list.remove('')
print(f"List of input scripts: {input_list}") print(f"List of input scripts: {input_list}")
total_tests += len(input_list) total_tests += len(input_list)
# iterate through the input scripts # iterate through the input scripts
results = [] results = []
num_passed = iterate(lmp_binary, input_list, config, results) num_passed = iterate(lmp_binary, input_list, config, results)
passed_tests += num_passed passed_tests += num_passed
all_results.extend(results) all_results.extend(results)
# get back to the working dir # get back to the working dir
os.chdir(pwd) os.chdir(pwd)
else: else:
# or using the input scripts in the working directory -- for debugging purposes # or using the input scripts in the working directory -- for debugging purposes