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[submit_mdt_analyses_lintf2_ether.py]: Additional --scripts Options #84

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Merged
andthum merged 1 commit into from
Nov 3, 2022
Merged

[submit_mdt_analyses_lintf2_ether.py]: Additional --scripts Options #84

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30 changes: 28 additions & 2 deletions analysis/lintf2_ether/mdt/submit_mdt_analyses_lintf2_ether.py
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Original file line number Diff line number Diff line change
Expand Up @@ -68,6 +68,8 @@
:11: All renewal event analyses.
:11.1: All scripts extracting renewal events.
:11.2: All scripts calculating renewal event lifetimes.
:11.3: All "normal" bulk renewal event lifetimes.
:11.4: All spatially discretized renewal event lifetimes.

Options for Trajectory Reading
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
Expand Down Expand Up @@ -350,9 +352,7 @@
REQUIRE_DTRJ_DISCRETE_Z = (
# `${settings}_${system}_discrete-z_Li_dtrj.npy`
"discrete-z_Li_state_lifetime_discrete",
"renewal_events_Li-ether_state_lifetime",
"renewal_events_Li-ether_state_lifetime_discrete",
"renewal_events_Li-NTf2_state_lifetime",
"renewal_events_Li-NTf2_state_lifetime_discrete",
)
REQUIRE_DTRJ_RENEWAL_ETHER = (
Expand Down Expand Up @@ -600,6 +600,8 @@ def _submit(sbatch_opts, job_script):
" 11 = All renewal event analyses."
" 11.1 = All scripts extracting renewal events."
" 11.2 = All scripts calculating renewal event lifetimes."
" 11.3 = All 'normal' bulk renewal event lifetimes."
" 11.4 = All spatially discretized renewal event lifetimes."
),
)
parser_trj_reading = parser.add_argument_group(
Expand Down Expand Up @@ -1004,6 +1006,13 @@ def _submit(sbatch_opts, job_script):
files.setdefault("discretized trajectory", DTRJ_DISCRETE_Z_FILE)
files.setdefault("discretized trajectory", DTRJ_RENEWAL_ETHER_FILE)
files.setdefault("discretized trajectory", DTRJ_RENEWAL_TFSI_FILE)
elif script == "11.3": # All bulk renewal event lifetimes.
files.setdefault("discretized trajectory", DTRJ_RENEWAL_ETHER_FILE)
files.setdefault("discretized trajectory", DTRJ_RENEWAL_TFSI_FILE)
elif script == "11.4": # All spatially discretized renew times.
files.setdefault("discretized trajectory", DTRJ_DISCRETE_Z_FILE)
files.setdefault("discretized trajectory", DTRJ_RENEWAL_ETHER_FILE)
files.setdefault("discretized trajectory", DTRJ_RENEWAL_TFSI_FILE)
for filetype, filename in files.items():
if not os.path.isfile(filename):
raise FileNotFoundError(
Expand Down Expand Up @@ -1477,6 +1486,23 @@ def _submit(sbatch_opts, job_script):
and "state_lifetime" in batch_script
):
n_scripts_submitted += _submit(args_sbatch, batch_script)
if "11.3" in args["scripts"].split():
# All "normal" bulk renewal event lifetimes.
for batch_script in posargs.keys():
if (
"renewal_events" in batch_script
and "state_lifetime" in batch_script
and "discrete" not in batch_script
):
n_scripts_submitted += _submit(args_sbatch, batch_script)
if "11.3" in args["scripts"].split():
# All spatially discretized renewal event lifetimes.
for batch_script in posargs.keys():
if (
"renewal_events" in batch_script
and "state_lifetime_discrete" in batch_script
):
n_scripts_submitted += _submit(args_sbatch, batch_script)
print("Submitted {} jobs".format(n_scripts_submitted))
if n_scripts_submitted == 0:
warnings.warn("No script submitted", UserWarning)
Expand Down