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Expanded the tests for more subfolders, need to check if there is an existing log file with matching nprocs

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This commit is contained in:
Trung Nguyen
2024-01-30 14:01:43 -06:00
parent c0fc4c8908
commit 293e930cb0
1 changed files with 22 additions and 5 deletions
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27
tools/regression-tests/run_tests.py
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@ -146,6 +146,7 @@ def get_lammps_build_configuration(lmp_binary):
cmd_str = lmp_binary + " -h" cmd_str = lmp_binary + " -h"
p = subprocess.run(cmd_str, shell=True, text=True, capture_output=True) p = subprocess.run(cmd_str, shell=True, text=True, capture_output=True)
output = p.stdout.split('\n') output = p.stdout.split('\n')
packages = ""
reading = False reading = False
row = 0 row = 0
for l in output: for l in output:
@ -153,9 +154,11 @@ def get_lammps_build_configuration(lmp_binary):
if l == "Installed packages:": if l == "Installed packages:":
reading = True reading = True
n = row n = row
if "List of individual style options" in l:
reading = False
if reading == True and row > n: if reading == True and row > n:
packages = l.strip() packages += l.strip() + " "
break
if "OS:" in l: if "OS:" in l:
operating_system = l operating_system = l
if "Git info" in l: if "Git info" in l:
@ -163,6 +166,8 @@ def get_lammps_build_configuration(lmp_binary):
row += 1 row += 1
packages = packages.strip()
row = 0 row = 0
compile_flags = "" compile_flags = ""
for l in output: for l in output:
@ -292,6 +297,7 @@ def iterate(input_list, config, removeAnnotatedInput=False):
thermo_ref = extract_data_to_yaml(file) thermo_ref = extract_data_to_yaml(file)
num_runs_ref = len(thermo_ref) num_runs_ref = len(thermo_ref)
else: else:
print(f"Cannot find reference log file with {pattern}")
# read in the thermo yaml output from the working directory # read in the thermo yaml output from the working directory
thermo_ref_file = 'thermo.' + input + '.yaml' thermo_ref_file = 'thermo.' + input + '.yaml'
file_exist = os.path.isfile(thermo_ref_file) file_exist = os.path.isfile(thermo_ref_file)
@ -385,7 +391,7 @@ if __name__ == "__main__":
args = parser.parse_args() args = parser.parse_args()
lmp_binary = args.lmp_binary lmp_binary = os.path.abspath(args.lmp_binary)
config_file= args.config_file config_file= args.config_file
genref = args.genref genref = args.genref
@ -419,15 +425,26 @@ if __name__ == "__main__":
# append the example subfolders depending on the installed packages # append the example subfolders depending on the installed packages
if 'MOLECULE' in packages: if 'MOLECULE' in packages:
molecule_package = True
example_subfolders.append('../../examples/micelle') example_subfolders.append('../../examples/micelle')
#if 'ASPHERE' in packages:
# example_subfolders.append('../../examples/ASPHERE/ellipsoid')
if 'COLLOID' in packages:
example_subfolders.append('../../examples/colloid')
if 'DIPOLE' in packages:
example_subfolders.append('../../examples/dipole')
if 'MANYBODY' in packages:
example_subfolders.append('../../examples/tersoff')
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]
print("Working dir" + pwd) print("Working directory: " + pwd)
# change dir to a folder under examples/ # change dir to a folder under examples/
# TODO: loop through the subfolders under examples/, depending on the installed packages # TODO: loop through the subfolders under examples/, depending on the installed packages