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Update run.py
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thangckt committed May 10, 2024
1 parent e07f336 commit cc19ffa
Showing 1 changed file with 2 additions and 4 deletions.
6 changes: 2 additions & 4 deletions dpgen/generator/run.py
Original file line number Diff line number Diff line change
Expand Up @@ -750,9 +750,7 @@ def run_train(iter_index, jdata, mdata):

train_command = mdata.get("train_command", "dp").strip()
# assert train_command == "dp", "The 'train_command' should be 'dp'" # the tests should be updated to run this command
if suffix == ".pb":
train_command += " --tf"
elif suffix == ".pth":
if suffix == ".pth":
train_command += " --pt"

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train_resources = mdata["train_resources"]
Expand Down Expand Up @@ -2220,7 +2218,7 @@ def _read_model_devi_file(
assert all(
model_devi_content.shape[0] == model_devi_contents[0].shape[0]
for model_devi_content in model_devi_contents
), "Not all beads generated the same number of lines in the model_devi$\{ibead\}.out file. Check your pimd task carefully."
), r"Not all beads generated the same number of lines in the model_devi${ibead}.out file. Check your pimd task carefully."
last_step = model_devi_contents[0][-1, 0]
for ibead in range(1, num_beads):
model_devi_contents[ibead][:, 0] = model_devi_contents[ibead][
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