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Simplify API version message
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@thangckt
thangckt committed May 27, 2024
1 parent 7491eb9 commit d5b058f
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Showing 3 changed files with 140 additions and 145 deletions.
142 changes: 70 additions & 72 deletions dpgen/data/gen.py
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Original file line number Diff line number Diff line change
Expand Up @@ -1158,27 +1158,26 @@ def run_vasp_relax(jdata, mdata):
# relax_run_tasks.append(ii)
run_tasks = [os.path.basename(ii) for ii in relax_run_tasks]

api_version = mdata.get("api_version", "1.0")
if Version(api_version) < Version("1.0"):
### Submit the jobs
if Version(mdata.get("api_version", "1.0")) < Version("1.0"):

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raise RuntimeError(
f"API version {api_version} has been removed. Please upgrade to 1.0."
"API version below 1.0 is no longer supported. Please upgrade to version 1.0 or newer."
)

elif Version(api_version) >= Version("1.0"):
submission = make_submission(
mdata["fp_machine"],
mdata["fp_resources"],
commands=[fp_command],
work_path=work_dir,
run_tasks=run_tasks,
group_size=fp_group_size,
forward_common_files=forward_common_files,
forward_files=forward_files,
backward_files=backward_files,
outlog="fp.log",
errlog="fp.log",
)
submission.run_submission()
submission = make_submission(

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mdata["fp_machine"],
mdata["fp_resources"],
commands=[fp_command],
work_path=work_dir,
run_tasks=run_tasks,
group_size=fp_group_size,
forward_common_files=forward_common_files,
forward_files=forward_files,
backward_files=backward_files,
outlog="fp.log",
errlog="fp.log",
)
submission.run_submission()

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def coll_abacus_md(jdata):
Expand Down Expand Up @@ -1298,27 +1297,26 @@ def run_abacus_relax(jdata, mdata):
# relax_run_tasks.append(ii)
run_tasks = [os.path.basename(ii) for ii in relax_run_tasks]

api_version = mdata.get("api_version", "1.0")
if Version(api_version) < Version("1.0"):
### Submit the jobs
if Version(mdata.get("api_version", "1.0")) < Version("1.0"):

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raise RuntimeError(
f"API version {api_version} has been removed. Please upgrade to 1.0."
"API version below 1.0 is no longer supported. Please upgrade to version 1.0 or newer."
)

elif Version(api_version) >= Version("1.0"):
submission = make_submission(
mdata["fp_machine"],
mdata["fp_resources"],
commands=[fp_command],
work_path=work_dir,
run_tasks=run_tasks,
group_size=fp_group_size,
forward_common_files=forward_common_files,
forward_files=forward_files,
backward_files=backward_files,
outlog="fp.log",
errlog="fp.log",
)
submission.run_submission()
submission = make_submission(

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mdata["fp_machine"],
mdata["fp_resources"],
commands=[fp_command],
work_path=work_dir,
run_tasks=run_tasks,
group_size=fp_group_size,
forward_common_files=forward_common_files,
forward_files=forward_files,
backward_files=backward_files,
outlog="fp.log",
errlog="fp.log",
)
submission.run_submission()

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def run_vasp_md(jdata, mdata):
Expand Down Expand Up @@ -1359,27 +1357,27 @@ def run_vasp_md(jdata, mdata):
run_tasks = [ii.replace(work_dir + "/", "") for ii in md_run_tasks]
# dlog.info("md_work_dir", work_dir)
# dlog.info("run_tasks",run_tasks)
api_version = mdata.get("api_version", "1.0")
if Version(api_version) < Version("1.0"):

### Submit the jobs
if Version(mdata.get("api_version", "1.0")) < Version("1.0"):

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raise RuntimeError(
f"API version {api_version} has been removed. Please upgrade to 1.0."
"API version below 1.0 is no longer supported. Please upgrade to version 1.0 or newer."
)

elif Version(api_version) >= Version("1.0"):
submission = make_submission(
mdata["fp_machine"],
mdata["fp_resources"],
commands=[fp_command],
work_path=work_dir,
run_tasks=run_tasks,
group_size=fp_group_size,
forward_common_files=forward_common_files,
forward_files=forward_files,
backward_files=backward_files,
outlog="fp.log",
errlog="fp.log",
)
submission.run_submission()
submission = make_submission(

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mdata["fp_machine"],
mdata["fp_resources"],
commands=[fp_command],
work_path=work_dir,
run_tasks=run_tasks,
group_size=fp_group_size,
forward_common_files=forward_common_files,
forward_files=forward_files,
backward_files=backward_files,
outlog="fp.log",
errlog="fp.log",
)
submission.run_submission()

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def run_abacus_md(jdata, mdata):
Expand Down Expand Up @@ -1435,27 +1433,27 @@ def run_abacus_md(jdata, mdata):
run_tasks = [ii.replace(work_dir + "/", "") for ii in md_run_tasks]
# dlog.info("md_work_dir", work_dir)
# dlog.info("run_tasks",run_tasks)
api_version = mdata.get("api_version", "1.0")
if Version(api_version) < Version("1.0"):

### Submit the jobs
if Version(mdata.get("api_version", "1.0")) < Version("1.0"):

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raise RuntimeError(
f"API version {api_version} has been removed. Please upgrade to 1.0."
"API version below 1.0 is no longer supported. Please upgrade to version 1.0 or newer."
)

elif Version(api_version) >= Version("1.0"):
submission = make_submission(
mdata["fp_machine"],
mdata["fp_resources"],
commands=[fp_command],
work_path=work_dir,
run_tasks=run_tasks,
group_size=fp_group_size,
forward_common_files=forward_common_files,
forward_files=forward_files,
backward_files=backward_files,
outlog="fp.log",
errlog="fp.log",
)
submission.run_submission()
submission = make_submission(

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mdata["fp_machine"],
mdata["fp_resources"],
commands=[fp_command],
work_path=work_dir,
run_tasks=run_tasks,
group_size=fp_group_size,
forward_common_files=forward_common_files,
forward_files=forward_files,
backward_files=backward_files,
outlog="fp.log",
errlog="fp.log",
)
submission.run_submission()

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def gen_init_bulk(args):
Expand Down
108 changes: 53 additions & 55 deletions dpgen/generator/run.py
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Original file line number Diff line number Diff line change
Expand Up @@ -874,31 +874,30 @@ def run_train(iter_index, jdata, mdata):
except Exception:
train_group_size = 1

api_version = mdata.get("api_version", "1.0")

user_forward_files = mdata.get("train" + "_user_forward_files", [])
forward_files += [os.path.basename(file) for file in user_forward_files]
backward_files += mdata.get("train" + "_user_backward_files", [])
if Version(api_version) < Version("1.0"):

### Submit the jobs
if Version(mdata.get("api_version", "1.0")) < Version("1.0"):
raise RuntimeError(
f"API version {api_version} has been removed. Please upgrade to 1.0."
"API version below 1.0 is no longer supported. Please upgrade to version 1.0 or newer."
)

elif Version(api_version) >= Version("1.0"):
submission = make_submission(
mdata["train_machine"],
mdata["train_resources"],
commands=commands,
work_path=work_path,
run_tasks=run_tasks,
group_size=train_group_size,
forward_common_files=trans_comm_data,
forward_files=forward_files,
backward_files=backward_files,
outlog="train.log",
errlog="train.log",
)
submission.run_submission()
submission = make_submission(
mdata["train_machine"],
mdata["train_resources"],
commands=commands,
work_path=work_path,
run_tasks=run_tasks,
group_size=train_group_size,
forward_common_files=trans_comm_data,
forward_files=forward_files,
backward_files=backward_files,
outlog="train.log",
errlog="train.log",
)
submission.run_submission()


def post_train(iter_index, jdata, mdata):
Expand Down Expand Up @@ -2090,31 +2089,31 @@ def run_md_model_devi(iter_index, jdata, mdata):
user_forward_files = mdata.get("model_devi" + "_user_forward_files", [])
forward_files += [os.path.basename(file) for file in user_forward_files]
backward_files += mdata.get("model_devi" + "_user_backward_files", [])
api_version = mdata.get("api_version", "1.0")
if len(run_tasks) == 0:
raise RuntimeError(
"run_tasks for model_devi should not be empty! Please check your files."
)
if Version(api_version) < Version("1.0"):

### Submit the jobs
if Version(mdata.get("api_version", "1.0")) < Version("1.0"):
raise RuntimeError(
f"API version {api_version} has been removed. Please upgrade to 1.0."
"API version below 1.0 is no longer supported. Please upgrade to version 1.0 or newer."
)

elif Version(api_version) >= Version("1.0"):
submission = make_submission(
mdata["model_devi_machine"],
mdata["model_devi_resources"],
commands=commands,
work_path=work_path,
run_tasks=run_tasks,
group_size=model_devi_group_size,
forward_common_files=model_names,
forward_files=forward_files,
backward_files=backward_files,
outlog="model_devi.log",
errlog="model_devi.log",
)
submission.run_submission()
submission = make_submission(
mdata["model_devi_machine"],
mdata["model_devi_resources"],
commands=commands,
work_path=work_path,
run_tasks=run_tasks,
group_size=model_devi_group_size,
forward_common_files=model_names,
forward_files=forward_files,
backward_files=backward_files,
outlog="model_devi.log",
errlog="model_devi.log",
)
submission.run_submission()


def run_model_devi(iter_index, jdata, mdata):
Expand Down Expand Up @@ -3964,27 +3963,26 @@ def run_fp_inner(
forward_files += [os.path.basename(file) for file in user_forward_files]
backward_files += mdata.get("fp" + "_user_backward_files", [])

api_version = mdata.get("api_version", "1.0")
if Version(api_version) < Version("1.0"):
### Submit the jobs
if Version(mdata.get("api_version", "1.0")) < Version("1.0"):

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raise RuntimeError(
f"API version {api_version} has been removed. Please upgrade to 1.0."
"API version below 1.0 is no longer supported. Please upgrade to version 1.0 or newer."
)

elif Version(api_version) >= Version("1.0"):
submission = make_submission(
mdata["fp_machine"],
mdata["fp_resources"],
commands=[fp_command],
work_path=work_path,
run_tasks=run_tasks,
group_size=fp_group_size,
forward_common_files=forward_common_files,
forward_files=forward_files,
backward_files=backward_files,
outlog=log_file,
errlog=log_file,
)
submission.run_submission()
submission = make_submission(

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mdata["fp_machine"],
mdata["fp_resources"],
commands=[fp_command],
work_path=work_path,
run_tasks=run_tasks,
group_size=fp_group_size,
forward_common_files=forward_common_files,
forward_files=forward_files,
backward_files=backward_files,
outlog=log_file,
errlog=log_file,
)
submission.run_submission()

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def run_fp(iter_index, jdata, mdata):
Expand Down
35 changes: 17 additions & 18 deletions dpgen/simplify/simplify.py
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Original file line number Diff line number Diff line change
Expand Up @@ -255,27 +255,26 @@ def run_model_devi(iter_index, jdata, mdata):
commands.append(command_true_error)
backward_files.append(true_error_file_name)

api_version = mdata.get("api_version", "1.0")
if Version(api_version) < Version("1.0"):
### Submit the jobs
if Version(mdata.get("api_version", "1.0")) < Version("1.0"):
raise RuntimeError(
f"API version {api_version} has been removed. Please upgrade to 1.0."
"API version below 1.0 is no longer supported. Please upgrade to version 1.0 or newer."
)

elif Version(api_version) >= Version("1.0"):
submission = make_submission(
mdata["model_devi_machine"],
mdata["model_devi_resources"],
commands=commands,
work_path=work_path,
run_tasks=run_tasks,
group_size=model_devi_group_size,
forward_common_files=model_names,
forward_files=forward_files,
backward_files=backward_files,
outlog="model_devi.log",
errlog="model_devi.log",
)
submission.run_submission()
submission = make_submission(
mdata["model_devi_machine"],
mdata["model_devi_resources"],
commands=commands,
work_path=work_path,
run_tasks=run_tasks,
group_size=model_devi_group_size,
forward_common_files=model_names,
forward_files=forward_files,
backward_files=backward_files,
outlog="model_devi.log",
errlog="model_devi.log",
)
submission.run_submission()


def post_model_devi(iter_index, jdata, mdata):
Expand Down

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