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split randomly the pair input list by batch size

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This commit is contained in:
Trung Nguyen
2024-10-27 00:00:10 -05:00
parent 67d1c7d17d
commit dd0dfd3c7f
2 changed files with 14 additions and 10 deletions
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19
tools/regression-tests/get_kokkos_input.py
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@ -7,6 +7,7 @@
# These 4 files will be read in by the regression tester run_tests.py
from argparse import ArgumentParser
import random
import subprocess
import sys
@ -68,7 +69,7 @@ if __name__ == "__main__":
input_list = []
generate_list(feature, example_toplevel, filter_out, input_list)
num_batches = int((len(input_list) + batch_size - 1) / batch_size)
num_batches = int(len(input_list) / batch_size)
if num_batches < 2:
with open(f"input-list-{feature}-kk.txt", "w") as f:
for input in input_list:
@ -77,13 +78,15 @@ if __name__ == "__main__":
else:
for idx in range(num_batches):
with open(f"input-list-{feature}-{idx}-kk.txt", "w") as f:
start = idx * batch_size
for i in range(batch_size):
if start + i < len(input_list):
input = input_list[start + i]
if input != "":
f.write(f"{input}\n")
if len(input_list) > batch_size:
sampled = random.sample(input_list, batch_size)
else:
sampled = input_list
for input in sampled:
if input != "":
if input in input_list:
input_list.remove(input)
f.write(f"{input}\n")
# combine the list of the input scripts that have these feature to a single file input-list-misc-kk.txt
features = [ 'angle', 'bond', 'dihedral', 'improper', 'min' ]