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skip in.min.box, ensure that input lists only contain unique entries

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This commit is contained in:
Trung Nguyen
2024-10-13 08:21:00 -05:00
parent 3e64966800
commit c735dc7d53
3 changed files with 11 additions and 6 deletions
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4
tools/regression-tests/config_kokkos.yaml
View File

@ -28,6 +28,10 @@
Press: Press:
abs: 1e-2 abs: 1e-2
rel: 1e-4 rel: 1e-4
skip:
[
in.min.box,
]
timeout: 180 timeout: 180
nugget: 1.0 nugget: 1.0

9
tools/regression-tests/get_kokkos_input.py
View File

@ -28,7 +28,7 @@ def generate_list(in_style, example_toplevel, filter_out, output_list):
for style in style_names: for style in style_names:
# find in the in. script a line with "pair_style [name]" # find in the in. script a line with "pair_style [name]"
if in_style == "pair": if in_style == "pair" or in_style == "angle" or in_style == "bond" or in_style == "dihedral" or in_style == "improper":
cmd_str = f"grep -rl '{in_style}_style.*{style}' {example_toplevel}/*/in.* " cmd_str = f"grep -rl '{in_style}_style.*{style}' {example_toplevel}/*/in.* "
else: else:
# find in the in. script a line with "fix ... [name]" (or "compute ... [name]") # find in the in. script a line with "fix ... [name]" (or "compute ... [name]")
@ -37,7 +37,6 @@ def generate_list(in_style, example_toplevel, filter_out, output_list):
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 = ' '.join(input_list).split() input_list = ' '.join(input_list).split()
#print(f"There are {len(input_list)} input files that contains {in_style} {style}")
for input in input_list: for input in input_list:
if input != "": if input != "":
skip = False skip = False
@ -47,8 +46,9 @@ def generate_list(in_style, example_toplevel, filter_out, output_list):
break break
if skip == True: if skip == True:
continue continue
else: else:
output_list.append(input) if input not in output_list:
output_list.append(input)
if __name__ == "__main__": if __name__ == "__main__":
@ -80,3 +80,4 @@ if __name__ == "__main__":
for input in input_list: for input in input_list:
if input != "": if input != "":
f.write(f"{input}\n") f.write(f"{input}\n")

4
tools/regression-tests/run_tests.py
View File

@ -305,8 +305,8 @@ def iterate(lmp_binary, input_folder, input_list, config, results, progress_file
config['nprocs'] = str(max_np) config['nprocs'] = str(max_np)
else: else:
# otherwise use the nprocs value in the configuration file (4 for most examples) # otherwise use the nprocs value in the configuration file (4 for most examples)
logger.info(f" Using nprocs {config['nprocs']} nprocs for {input_test} as specified in the config file.") logger.info(f" Using {config['nprocs']} nprocs for {input_test} as enforced in the config file.")
logger.info(f" The maximum number of procs in the log files is {max_np}.") logger.info(f" WARNING: The maximum number of procs found from the reference log files is {max_np}.")
# store the value of nprocs to name the generated log file # store the value of nprocs to name the generated log file
nprocs = int(config['nprocs']) nprocs = int(config['nprocs'])