Changed indentation
This commit is contained in:
Trung Nguyen
@ -13,6 +13,9 @@ UPDATE: July 5, 2024:
|
||||
+ 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
|
||||
|
||||
TODO:
|
||||
+ distribute the input list across multiple processes via multiprocessing
|
||||
|
||||
Example usage:
|
||||
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
|
||||
@ -103,48 +106,48 @@ def extract_thermo(yamlFileName):
|
||||
return a YAML data structure as if loaded from a thermo yaml file
|
||||
'''
|
||||
def extract_data_to_yaml(inputFileName):
|
||||
with open(inputFileName, 'r') as file:
|
||||
data = file.read()
|
||||
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:
|
||||
with open(inputFileName, 'r') as file:
|
||||
data = file.read()
|
||||
lines = data.splitlines()
|
||||
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 "WARNING" in line:
|
||||
continue
|
||||
data = line.split()
|
||||
docs += " - ["
|
||||
for field in enumerate(data):
|
||||
docs += field[1] + ", "
|
||||
docs += "]\n"
|
||||
if reading == True and "Step" not in line:
|
||||
if "WARNING" in line:
|
||||
continue
|
||||
data = line.split()
|
||||
docs += " - ["
|
||||
for field in enumerate(data):
|
||||
docs += field[1] + ", "
|
||||
docs += "]\n"
|
||||
|
||||
# load the docs into a YAML data struture
|
||||
#print(docs)
|
||||
|
||||
try:
|
||||
yaml_struct = yaml.load_all(docs, Loader=Loader)
|
||||
thermo = list(yaml_struct)
|
||||
yaml_struct = yaml.load_all(docs, Loader=Loader)
|
||||
thermo = list(yaml_struct)
|
||||
except yaml.YAMLError as exc:
|
||||
if hasattr(exc, 'problem_mark'):
|
||||
mark = exc.problem_mark
|
||||
print(f"Error parsing {inputFileName} at line {mark.line}, column {mark.column+1}.")
|
||||
else:
|
||||
print (f"Something went wrong while parsing {inputFileName}.")
|
||||
print(docs)
|
||||
if hasattr(exc, 'problem_mark'):
|
||||
mark = exc.problem_mark
|
||||
print(f"Error parsing {inputFileName} at line {mark.line}, column {mark.column+1}.")
|
||||
else:
|
||||
print (f"Something went wrong while parsing {inputFileName}.")
|
||||
print(docs)
|
||||
return thermo
|
||||
|
||||
'''
|
||||
@ -157,33 +160,33 @@ def get_lammps_build_configuration(lmp_binary):
|
||||
packages = ""
|
||||
reading = False
|
||||
row = 0
|
||||
for l in output:
|
||||
if l != "":
|
||||
if l == "Installed packages:":
|
||||
reading = True
|
||||
n = row
|
||||
if "List of individual style options" in l:
|
||||
reading = False
|
||||
if reading == True and row > n:
|
||||
packages += l.strip() + " "
|
||||
for line in output:
|
||||
if line != "":
|
||||
if line == "Installed packages:":
|
||||
reading = True
|
||||
n = row
|
||||
if "List of individual style options" in line:
|
||||
reading = False
|
||||
if reading == True and row > n:
|
||||
packages += line.strip() + " "
|
||||
|
||||
if "OS:" in l:
|
||||
operating_system = l
|
||||
if "Git info" in l:
|
||||
GitInfo = l
|
||||
if "OS:" in line:
|
||||
operating_system = line
|
||||
if "Git info" in line:
|
||||
GitInfo = line
|
||||
|
||||
row += 1
|
||||
row += 1
|
||||
|
||||
packages = packages.strip()
|
||||
|
||||
row = 0
|
||||
compile_flags = ""
|
||||
for l in output:
|
||||
if l != "":
|
||||
if "-DLAMMPS" in l:
|
||||
compile_flags += " " + l.strip()
|
||||
for line in output:
|
||||
if line != "":
|
||||
if "-DLAMMPS" in line:
|
||||
compile_flags += " " + line.strip()
|
||||
|
||||
row += 1
|
||||
row += 1
|
||||
|
||||
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
|
||||
if 'skip' in config:
|
||||
if input in config['skip']:
|
||||
continue
|
||||
if input in config['skip']:
|
||||
continue
|
||||
|
||||
str_t = "\nRunning " + input + f" ({test_id+1}/{num_tests})"
|
||||
|
||||
result = TestResult(name=input, output="", time="", status="passed")
|
||||
|
||||
if using_markers == True:
|
||||
input_test = 'test.' + input
|
||||
if os.path.isfile(input) == True:
|
||||
if has_markers(input):
|
||||
process_markers(input, input_test)
|
||||
input_test = 'test.' + input
|
||||
if os.path.isfile(input) == True:
|
||||
if has_markers(input):
|
||||
process_markers(input, input_test)
|
||||
|
||||
else:
|
||||
print(f"WARNING: {input} does not have REG markers")
|
||||
input_markers = input + '.markers'
|
||||
# if the input file with the REG markers does not exist
|
||||
# attempt to plug in the REG markers before each run command
|
||||
if os.path.isfile(input_markers) == False:
|
||||
else:
|
||||
print(f"WARNING: {input} does not have REG markers")
|
||||
input_markers = input + '.markers'
|
||||
# if the input file with the REG markers does not exist
|
||||
# attempt to plug in the REG markers before each run command
|
||||
if os.path.isfile(input_markers) == False:
|
||||
|
||||
cmd_str = "cp " + input + " " + input_markers
|
||||
os.system(cmd_str)
|
||||
generate_markers(input, input_markers)
|
||||
process_markers(input_markers, input_test)
|
||||
cmd_str = "cp " + input + " " + input_markers
|
||||
os.system(cmd_str)
|
||||
generate_markers(input, input_markers)
|
||||
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:
|
||||
input_test = input
|
||||
input_test = input
|
||||
|
||||
print(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}.*'
|
||||
max_np = 1
|
||||
for file in os.listdir('.'):
|
||||
if fnmatch.fnmatch(file, pattern):
|
||||
p = file.rsplit('.', 1)
|
||||
if max_np < int(p[1]):
|
||||
max_np = int(p[1])
|
||||
logfile_exist = True
|
||||
thermo_ref_file = file
|
||||
if fnmatch.fnmatch(file, pattern):
|
||||
p = file.rsplit('.', 1)
|
||||
if max_np < int(p[1]):
|
||||
max_np = int(p[1])
|
||||
logfile_exist = True
|
||||
thermo_ref_file = file
|
||||
|
||||
# if the maximum number of procs is different from the value in the configuration file
|
||||
# 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
|
||||
config['nprocs'] = saved_nprocs
|
||||
|
||||
# process thermo output
|
||||
# process error code from the run
|
||||
if returncode != 0:
|
||||
print(f"ERROR: Failed with {input_test}. Check the log file for the run output.\n")
|
||||
logger.info(f"\n{error}")
|
||||
continue
|
||||
|
||||
# process thermo output
|
||||
thermo = extract_data_to_yaml("log.lammps")
|
||||
|
||||
num_runs = len(thermo)
|
||||
if num_runs == 0:
|
||||
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"\n{output}")
|
||||
result.status = "error"
|
||||
results.append(result)
|
||||
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:
|
||||
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"
|
||||
@ -606,43 +609,44 @@ if __name__ == "__main__":
|
||||
example_subfolders.append('../../examples/srd')
|
||||
|
||||
all_results = []
|
||||
# default setting
|
||||
if inplace_input == True:
|
||||
|
||||
# save current working dir
|
||||
p = subprocess.run("pwd", shell=True, text=True, capture_output=True)
|
||||
pwd = p.stdout.split('\n')[0]
|
||||
pwd = os.path.abspath(pwd)
|
||||
print("Working directory: " + pwd)
|
||||
# save current working dir
|
||||
p = subprocess.run("pwd", shell=True, text=True, capture_output=True)
|
||||
pwd = p.stdout.split('\n')[0]
|
||||
pwd = os.path.abspath(pwd)
|
||||
print("Working directory: " + pwd)
|
||||
|
||||
# change dir to a folder under examples/, need to use os.chdir()
|
||||
# TODO: loop through the subfolders under examples/, depending on the installed packages
|
||||
# change dir to a folder under examples/, need to use os.chdir()
|
||||
# TODO: loop through the subfolders under examples/, depending on the installed packages
|
||||
|
||||
total_tests = 0
|
||||
passed_tests = 0
|
||||
total_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)
|
||||
print("\nEntering " + directory)
|
||||
os.chdir(directory)
|
||||
p = subprocess.run("pwd", shell=True, text=True, capture_output=True)
|
||||
print("\nEntering " + directory)
|
||||
os.chdir(directory)
|
||||
|
||||
cmd_str = "ls in.*"
|
||||
p = subprocess.run(cmd_str, shell=True, text=True, capture_output=True)
|
||||
input_list = p.stdout.split('\n')
|
||||
input_list.remove('')
|
||||
cmd_str = "ls in.*"
|
||||
p = subprocess.run(cmd_str, shell=True, text=True, capture_output=True)
|
||||
input_list = p.stdout.split('\n')
|
||||
input_list.remove('')
|
||||
|
||||
print(f"List of input scripts: {input_list}")
|
||||
total_tests += len(input_list)
|
||||
print(f"List of input scripts: {input_list}")
|
||||
total_tests += len(input_list)
|
||||
|
||||
# iterate through the input scripts
|
||||
results = []
|
||||
num_passed = iterate(lmp_binary, input_list, config, results)
|
||||
passed_tests += num_passed
|
||||
# iterate through the input scripts
|
||||
results = []
|
||||
num_passed = iterate(lmp_binary, input_list, config, results)
|
||||
passed_tests += num_passed
|
||||
|
||||
all_results.extend(results)
|
||||
all_results.extend(results)
|
||||
|
||||
# get back to the working dir
|
||||
os.chdir(pwd)
|
||||
# get back to the working dir
|
||||
os.chdir(pwd)
|
||||
|
||||
else:
|
||||
# or using the input scripts in the working directory -- for debugging purposes
|
||||
|
||||
Reference in New Issue
Block a user