From 26bcfa3aad3fa83aa44cc1eebd321fa42a969811 Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Wed, 15 Apr 2026 13:56:14 -0700 Subject: [PATCH 01/58] Add amsc-client to dashboard conda environment file --- dashboard/environment.yml | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/dashboard/environment.yml b/dashboard/environment.yml index 099d673c..b7d304a6 100644 --- a/dashboard/environment.yml +++ b/dashboard/environment.yml @@ -24,4 +24,8 @@ dependencies: - trame-router - trame-vuetify - pip: + - --extra-index-url https://gitlab.com/api/v4/projects/77567162/packages/pypi/simple \ + - --extra-index-url https://gitlab.com/api/v4/projects/76368190/packages/pypi/simple \ + - --extra-index-url https://gitlab.com/api/v4/projects/80654726/packages/pypi/simple \ + - amsc-client - sfapi_client From b2f09222dbac6e75d7c03cc4d427124ed86a426a Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Wed, 15 Apr 2026 14:00:16 -0700 Subject: [PATCH 02/58] Remove old dashboard conda environment lock file --- dashboard/environment-lock.yml | 18045 ------------------------------- 1 file changed, 18045 deletions(-) delete mode 100644 dashboard/environment-lock.yml diff --git a/dashboard/environment-lock.yml b/dashboard/environment-lock.yml deleted file mode 100644 index dd8bda6d..00000000 --- a/dashboard/environment-lock.yml +++ /dev/null @@ -1,18045 +0,0 @@ -# This lock file was generated by conda-lock (https://github.com/conda/conda-lock). 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https://files.pythonhosted.org/packages/d7/c1/eb8f9debc45d3b7918a32ab756658a0904732f75e555402972246b0b8e71/tenacity-9.1.4-py3-none-any.whl + hash: + sha256: 6095a360c919085f28c6527de529e76a06ad89b23659fa881ae0649b867a9d55 + category: main + optional: false From 42e88435a8758b93f49cefe12cf1b6d82823d853 Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Wed, 15 Apr 2026 14:37:54 -0700 Subject: [PATCH 05/58] Rename NERSC route as 'HPC Connection' --- dashboard/app.py | 28 ++++++++++++++-------------- 1 file changed, 14 insertions(+), 14 deletions(-) diff --git a/dashboard/app.py b/dashboard/app.py index c4120d8b..27defb39 100644 --- a/dashboard/app.py +++ b/dashboard/app.py @@ -49,7 +49,7 @@ def update( reset_calibration=True, reset_plots=True, reset_gui_route_home=True, - reset_gui_route_nersc=True, + reset_gui_route_hpc=True, reset_gui_route_chat=True, reset_gui_layout=True, **kwargs, @@ -93,9 +93,9 @@ def update( # reset GUI home route if reset_gui_route_home: home_route() - # reset GUI NERSC route - if reset_gui_route_nersc: - nersc_route() + # reset GUI HPC route + if reset_gui_route_hpc: + hpc_route() # reset GUI chat route if reset_gui_route_chat: chat_route() @@ -145,7 +145,7 @@ def reset(**kwargs): reset_calibration=True, reset_plots=True, reset_gui_route_home=True, - reset_gui_route_nersc=False, + reset_gui_route_hpc=False, reset_gui_route_chat=False, reset_gui_layout=False, ) @@ -163,7 +163,7 @@ def reset(**kwargs): reset_calibration=False, reset_plots=True, reset_gui_route_home=True, - reset_gui_route_nersc=False, + reset_gui_route_hpc=False, reset_gui_route_chat=False, reset_gui_layout=False, ) @@ -187,7 +187,7 @@ def reset(**kwargs): reset_calibration=False, reset_plots=True, reset_gui_route_home=False, - reset_gui_route_nersc=False, + reset_gui_route_hpc=False, reset_gui_route_chat=False, reset_gui_layout=False, ) @@ -356,10 +356,10 @@ def home_route(): ctrl.figure_update = figure.update -# NERSC route -def nersc_route(): - print("Setting GUI NERSC route...") - with RouterViewLayout(server, "/nersc"): +# HPC route +def hpc_route(): + print("Setting GUI HPC route...") + with RouterViewLayout(server, "/hpc"): with vuetify.VRow(): with vuetify.VCol(cols=4): # Superfacility API card @@ -429,11 +429,11 @@ def gui_setup(): prepend_icon="mdi-chat", title="AI Assistant", ) - # NERSC route + # HPC route vuetify.VListItem( - to="/nersc", + to="/hpc", prepend_icon="mdi-lan-connect", - title="NERSC API key", + title="HPC Connection", ) # interactive dialog for simulation plots with vuetify.VDialog( From cd95015641e1e3763f5f8dbdb9598120eca1372f Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Wed, 15 Apr 2026 16:16:24 -0700 Subject: [PATCH 06/58] Add GUI components to select HPC connection --- dashboard/app.py | 8 ++++-- dashboard/hpc_manager.py | 54 ++++++++++++++++++++++++++++++++++++++ dashboard/sfapi_manager.py | 49 +++++++++++++++++----------------- dashboard/state_manager.py | 3 +++ 4 files changed, 87 insertions(+), 27 deletions(-) create mode 100644 dashboard/hpc_manager.py diff --git a/dashboard/app.py b/dashboard/app.py index 27defb39..a67d3087 100644 --- a/dashboard/app.py +++ b/dashboard/app.py @@ -11,7 +11,8 @@ from optimization_manager import OptimizationManager from parameters_manager import ParametersManager from calibration_manager import SimulationCalibrationManager -from sfapi_manager import initialize_sfapi, load_sfapi_card +from hpc_manager import load_hpc_card +from sfapi_manager import initialize_sfapi from state_manager import server, state, ctrl, initialize_state from error_manager import error_panel, add_error from utils import ( @@ -69,6 +70,9 @@ def update( # derive execution mode from execution_mode in the experiment configuration file execution_mode = config_dict.get("execution_mode") or {} state.model_training_mode = execution_mode.get("ml_training", "local") + # sync hpc_connection to the execution mode set in the experiment configuration file + # (TODO decouple ML training mode and simulation running mode in the future) + state.hpc_connection = state.model_training_mode db = load_database(config_dict) exp_data, sim_data = load_data(db, state.experiment, state.experiment_date_range) # reset output @@ -365,7 +369,7 @@ def hpc_route(): # Superfacility API card with vuetify.VRow(): with vuetify.VCol(): - load_sfapi_card() + load_hpc_card() # Chat route diff --git a/dashboard/hpc_manager.py b/dashboard/hpc_manager.py new file mode 100644 index 00000000..b504a8b7 --- /dev/null +++ b/dashboard/hpc_manager.py @@ -0,0 +1,54 @@ +from trame.widgets import vuetify3 as vuetify + +from sfapi_manager import load_sfapi_card +from state_manager import state + +# Mapping from internal execution mode values to display labels +HPC_CONNECTION_LABELS = { + "local": "Local", + "iriapi": "AmSC IRI API", + "sfapi": "NERSC Superfacility API", +} + + +@state.change("hpc_connection") +def sync_hpc_connection(**kwargs): + # skip if triggered on server ready (all state variables marked as modified) + if len(state.modified_keys) == 1: + print( + f"HPC connection changed to {HPC_CONNECTION_LABELS[state.hpc_connection]}" + ) + # Overwrite model training mode and simulation running mode + state.model_training_mode = state.hpc_connection + # state.simulation_running_mode = state.hpc_connection # TODO + + +def load_hpc_card(): + print("Setting HPC card...") + with vuetify.VCard(): + with vuetify.VCardTitle("HPC Connection"): + with vuetify.VCardText(): + with vuetify.VRow(): + with vuetify.VCol(): + vuetify.VSelect( + v_model=("hpc_connection",), + label="Execution Mode", + items=( + [ + {"title": label, "value": mode} + for mode, label in HPC_CONNECTION_LABELS.items() + ], + ), + dense=True, + hide_details=True, + ) + with vuetify.VRow(v_if=("hpc_connection == 'sfapi'",)): + with vuetify.VCol(): + load_sfapi_card() + with vuetify.VRow(v_if=("hpc_connection == 'iriapi'",)): + with vuetify.VCol(): + vuetify.VAlert( + "Coming soon", + type="info", + variant="tonal", + ) diff --git a/dashboard/sfapi_manager.py b/dashboard/sfapi_manager.py index 1f77029c..66ce56c6 100644 --- a/dashboard/sfapi_manager.py +++ b/dashboard/sfapi_manager.py @@ -131,29 +131,28 @@ def load_sfapi_credentials(**kwargs): def load_sfapi_card(): print("Setting Superfacility API card...") with vuetify.VCard(): - with vuetify.VCardTitle("Superfacility API"): - with vuetify.VCardText(): - # row with component to upload input file - with vuetify.VRow(): - vuetify.VFileInput( - v_model=("sfapi_key_dict",), - label="Key File (pem format, must include client ID in first line)", - accept=".pem", - __properties=["accept"], + with vuetify.VCardText(): + # row with component to upload input file + with vuetify.VRow(): + vuetify.VFileInput( + v_model=("sfapi_key_dict",), + label="Key File (pem format, must include client ID in first line)", + accept=".pem", + __properties=["accept"], + ) + # row with text field to display key expiration date + with vuetify.VRow(): + with vuetify.VCol(): + vuetify.VTextField( + v_model=("sfapi_key_expiration",), + label="Key Expiration (if expired or unavailable, please upload a valid key)", + readonly=True, + ) + # row with text field to display Perlmutter status + with vuetify.VRow(): + with vuetify.VCol(): + vuetify.VTextField( + v_model=("perlmutter_description",), + label="Perlmutter Status", + readonly=True, ) - # row with text field to display key expiration date - with vuetify.VRow(): - with vuetify.VCol(): - vuetify.VTextField( - v_model=("sfapi_key_expiration",), - label="Key Expiration (if expired or unavailable, please upload a valid key)", - readonly=True, - ) - # row with text field to display Perlmutter status - with vuetify.VRow(): - with vuetify.VCol(): - vuetify.VTextField( - v_model=("perlmutter_description",), - label="Perlmutter Status", - readonly=True, - ) diff --git a/dashboard/state_manager.py b/dashboard/state_manager.py index 8d8d31ec..a7e9f448 100644 --- a/dashboard/state_manager.py +++ b/dashboard/state_manager.py @@ -37,6 +37,8 @@ def initialize_state(): state.optimization_status = None # Opacity state.opacity = 0.05 + # HPC connection + state.hpc_connection = "local" # Superfacility API state.sfapi_client_id = None state.sfapi_key = None @@ -50,6 +52,7 @@ def initialize_state(): state.simulation_video = False # Simulation jobs state.simulation_running = False + # state.simulation_running_mode = "local" # TODO state.simulation_running_status = None state.simulation_running_time = None state.simulatable = False From ebaf0fdaa73ff89d42d25d501eaac83ebb7b5947 Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Thu, 16 Apr 2026 14:34:12 -0700 Subject: [PATCH 07/58] Work on GUI components to select HPC connection --- dashboard/hpc_manager.py | 7 ++--- dashboard/iriapi_manager.py | 32 ++++++++++++++++++++++ dashboard/sfapi_manager.py | 53 +++++++++++++++++++------------------ 3 files changed, 61 insertions(+), 31 deletions(-) create mode 100644 dashboard/iriapi_manager.py diff --git a/dashboard/hpc_manager.py b/dashboard/hpc_manager.py index b504a8b7..89e5a6d5 100644 --- a/dashboard/hpc_manager.py +++ b/dashboard/hpc_manager.py @@ -1,5 +1,6 @@ from trame.widgets import vuetify3 as vuetify +from iriapi_manager import load_iriapi_card from sfapi_manager import load_sfapi_card from state_manager import state @@ -47,8 +48,4 @@ def load_hpc_card(): load_sfapi_card() with vuetify.VRow(v_if=("hpc_connection == 'iriapi'",)): with vuetify.VCol(): - vuetify.VAlert( - "Coming soon", - type="info", - variant="tonal", - ) + load_iriapi_card() diff --git a/dashboard/iriapi_manager.py b/dashboard/iriapi_manager.py new file mode 100644 index 00000000..f450b7d2 --- /dev/null +++ b/dashboard/iriapi_manager.py @@ -0,0 +1,32 @@ +from trame.widgets import vuetify3 as vuetify + + +def load_iriapi_card(): + print("Setting AmSC IRI API card...") + # row with component to upload input file with top padding + with vuetify.VRow(style="padding-top: 20px;"): + with vuetify.VCol(): + vuetify.VFileInput( + v_model=("sfapi_key_dict",), + label="Token File", + accept=".pem", + prepend_icon="", + prepend_inner_icon="mdi-paperclip", + __properties=["accept"], + ) + # row with text field to display key expiration date + with vuetify.VRow(): + with vuetify.VCol(): + vuetify.VTextField( + v_model=("sfapi_key_expiration",), + label="Token Expiration (if expired or unavailable, please upload a valid token)", + readonly=True, + ) + # row with text field to display Perlmutter status + with vuetify.VRow(): + with vuetify.VCol(): + vuetify.VTextField( + v_model=("perlmutter_description",), + label="Perlmutter Status", + readonly=True, + ) diff --git a/dashboard/sfapi_manager.py b/dashboard/sfapi_manager.py index 66ce56c6..7f75da6e 100644 --- a/dashboard/sfapi_manager.py +++ b/dashboard/sfapi_manager.py @@ -130,29 +130,30 @@ def load_sfapi_credentials(**kwargs): def load_sfapi_card(): print("Setting Superfacility API card...") - with vuetify.VCard(): - with vuetify.VCardText(): - # row with component to upload input file - with vuetify.VRow(): - vuetify.VFileInput( - v_model=("sfapi_key_dict",), - label="Key File (pem format, must include client ID in first line)", - accept=".pem", - __properties=["accept"], - ) - # row with text field to display key expiration date - with vuetify.VRow(): - with vuetify.VCol(): - vuetify.VTextField( - v_model=("sfapi_key_expiration",), - label="Key Expiration (if expired or unavailable, please upload a valid key)", - readonly=True, - ) - # row with text field to display Perlmutter status - with vuetify.VRow(): - with vuetify.VCol(): - vuetify.VTextField( - v_model=("perlmutter_description",), - label="Perlmutter Status", - readonly=True, - ) + # row with component to upload input file with top padding + with vuetify.VRow(style="padding-top: 20px;"): + with vuetify.VCol(): + vuetify.VFileInput( + v_model=("sfapi_key_dict",), + label="Key File (pem format, must include client ID in first line)", + accept=".pem", + prepend_icon="", + prepend_inner_icon="mdi-paperclip", + __properties=["accept"], + ) + # row with text field to display key expiration date + with vuetify.VRow(): + with vuetify.VCol(): + vuetify.VTextField( + v_model=("sfapi_key_expiration",), + label="Key Expiration (if expired or unavailable, please upload a valid key)", + readonly=True, + ) + # row with text field to display Perlmutter status + with vuetify.VRow(): + with vuetify.VCol(): + vuetify.VTextField( + v_model=("perlmutter_description",), + label="Perlmutter Status", + readonly=True, + ) From ff42e75f0883d2a7dfd06adc57432ed26648eb1f Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Tue, 28 Apr 2026 14:46:50 -0700 Subject: [PATCH 08/58] Continue IRI API implementation --- dashboard/iriapi_manager.py | 60 +++++++++++++++++++++++++++++++++---- dashboard/state_manager.py | 5 ++++ 2 files changed, 59 insertions(+), 6 deletions(-) diff --git a/dashboard/iriapi_manager.py b/dashboard/iriapi_manager.py index f450b7d2..e6e57865 100644 --- a/dashboard/iriapi_manager.py +++ b/dashboard/iriapi_manager.py @@ -1,28 +1,76 @@ +import os + +from amsc_client import Client from trame.widgets import vuetify3 as vuetify +from error_manager import add_error +from state_manager import state + +IRI_ACCESS_TOKEN_ENV = "IRI_ACCESS_TOKEN" + + +def update_iriapi_info(): + print("Updating AmSC IRI API info...") + try: + # Create an authenticated client + client = Client(token=state.iriapi_key) + # Update Perlmutter info + nersc = client.facility("nersc") + perlmutter = nersc.resource("compute") + state.perlmutter_description = f"{perlmutter.description}" + state.perlmutter_status = f"{perlmutter.status}" + print( + f"Perlmutter status is {state.perlmutter_status} with description '{state.perlmutter_description}'" + ) + except Exception as e: + print(f"An unexpected error occurred when connecting to AmSC IRI API:\n{e}") + # Reset key expiration date + state.iriapi_key_expiration = "Unavailable" + # Reset Perlmutter status + state.perlmutter_description = "Unavailable" + state.perlmutter_status = "unavailable" + title = "Unable to connect to NERSC" + msg = f"Error occurred when connecting to NERSC through the AmSC IRI API: {e}" + add_error(title, msg) + print(msg) + + +@state.change("iriapi_key_dict") +def load_iriapi_credentials(**kwargs): + # Load credentials from the uploaded token file + if state.iriapi_key_dict is not None: + print("Loading AmSC IRI API credentials from file...") + state.iriapi_key = state.iriapi_key_dict["content"].decode("utf-8") + update_iriapi_info() + def load_iriapi_card(): print("Setting AmSC IRI API card...") - # row with component to upload input file with top padding + # Prefer an environment-provided token when running in deployed contexts + if IRI_ACCESS_TOKEN_ENV in os.environ: + print("Loading AmSC IRI API credentials from environment...") + state.iriapi_key = os.environ[IRI_ACCESS_TOKEN_ENV] + update_iriapi_info() + # Row with component to upload input file with top padding with vuetify.VRow(style="padding-top: 20px;"): with vuetify.VCol(): vuetify.VFileInput( - v_model=("sfapi_key_dict",), + v_model=("iriapi_key_dict",), label="Token File", - accept=".pem", + accept=".txt", prepend_icon="", prepend_inner_icon="mdi-paperclip", __properties=["accept"], ) - # row with text field to display key expiration date + # Row with text field to display key expiration date with vuetify.VRow(): with vuetify.VCol(): vuetify.VTextField( - v_model=("sfapi_key_expiration",), + v_model=("iriapi_key_expiration",), label="Token Expiration (if expired or unavailable, please upload a valid token)", readonly=True, ) - # row with text field to display Perlmutter status + # Row with text field to display Perlmutter status with vuetify.VRow(): with vuetify.VCol(): vuetify.VTextField( diff --git a/dashboard/state_manager.py b/dashboard/state_manager.py index a7e9f448..04f6466c 100644 --- a/dashboard/state_manager.py +++ b/dashboard/state_manager.py @@ -39,11 +39,16 @@ def initialize_state(): state.opacity = 0.05 # HPC connection state.hpc_connection = "local" + # IRI API + state.iriapi_key = None + state.iriapi_key_dict = None + state.iriapi_key_expiration = "Unavailable" # Superfacility API state.sfapi_client_id = None state.sfapi_key = None state.sfapi_key_dict = None state.sfapi_key_expiration = "Unavailable" + # NERSC state.perlmutter_description = "Unavailable" state.perlmutter_status = "unavailable" # Simulation plots in interactive dialog From 2d3e2e7014d6d8ae839a6d927f07be479db05457 Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Wed, 29 Apr 2026 15:27:44 -0700 Subject: [PATCH 09/58] Port dashboard model training to AmSC IRI API --- dashboard/iriapi_manager.py | 43 +++++++++++++++++--- dashboard/model_manager.py | 79 +++++++++++++++++++++++++++++++++++++ 2 files changed, 117 insertions(+), 5 deletions(-) diff --git a/dashboard/iriapi_manager.py b/dashboard/iriapi_manager.py index e6e57865..fd2f15af 100644 --- a/dashboard/iriapi_manager.py +++ b/dashboard/iriapi_manager.py @@ -1,3 +1,4 @@ +import asyncio import os from amsc_client import Client @@ -9,11 +10,37 @@ IRI_ACCESS_TOKEN_ENV = "IRI_ACCESS_TOKEN" +def create_iriapi_client(): + iriapi_key = (state.iriapi_key or "").strip() + if not iriapi_key: + raise ValueError("Missing AmSC IRI API token") + client = Client(token=iriapi_key) + client.register_facility( + "nersc", + auth_method="token", + token=iriapi_key, + ) + return client + + +async def monitor_iriapi_job(iriapi_job, state_variable): + while not iriapi_job.is_terminal: + await asyncio.sleep(5) + await asyncio.to_thread(iriapi_job.refresh) + # Make the status more readable by putting in spaces and capitalizing the words. + job_status = iriapi_job.state.replace("_", " ").title() + if state[state_variable] != job_status: + state[state_variable] = job_status + state.flush() + print("Job status: ", state[state_variable]) + return iriapi_job.state == "completed" + + def update_iriapi_info(): print("Updating AmSC IRI API info...") try: # Create an authenticated client - client = Client(token=state.iriapi_key) + client = create_iriapi_client() # Update Perlmutter info nersc = client.facility("nersc") perlmutter = nersc.resource("compute") @@ -40,17 +67,23 @@ def load_iriapi_credentials(**kwargs): # Load credentials from the uploaded token file if state.iriapi_key_dict is not None: print("Loading AmSC IRI API credentials from file...") - state.iriapi_key = state.iriapi_key_dict["content"].decode("utf-8") - update_iriapi_info() + state.iriapi_key = state.iriapi_key_dict["content"].decode("utf-8").strip() + if state.iriapi_key: + update_iriapi_info() + else: + print("Uploaded AmSC IRI API token file is empty.") def load_iriapi_card(): print("Setting AmSC IRI API card...") # Prefer an environment-provided token when running in deployed contexts - if IRI_ACCESS_TOKEN_ENV in os.environ: + iri_access_token = os.environ.get(IRI_ACCESS_TOKEN_ENV, "").strip() + if iri_access_token: print("Loading AmSC IRI API credentials from environment...") - state.iriapi_key = os.environ[IRI_ACCESS_TOKEN_ENV] + state.iriapi_key = iri_access_token update_iriapi_info() + elif IRI_ACCESS_TOKEN_ENV in os.environ: + print(f"{IRI_ACCESS_TOKEN_ENV} is set but empty; waiting for token upload.") # Row with component to upload input file with top padding with vuetify.VRow(style="padding-top: 20px;"): with vuetify.VCol(): diff --git a/dashboard/model_manager.py b/dashboard/model_manager.py index 67109595..09475d11 100644 --- a/dashboard/model_manager.py +++ b/dashboard/model_manager.py @@ -12,6 +12,7 @@ from utils import timer, load_config_dict, create_date_filter from error_manager import add_error from sfapi_manager import monitor_sfapi_job +from iriapi_manager import create_iriapi_client, monitor_iriapi_job from state_manager import state model_type_dict = { @@ -263,6 +264,82 @@ async def _training_kernel_sfapi(self): state.flush() return False + async def _training_kernel_iriapi(self): + try: + # Create an authenticated client + client = create_iriapi_client() + # Connect to NERSC + nersc = await asyncio.to_thread(client.facility, "nersc") + # Get the compute resource (Perlmutter) + perlmutter = await asyncio.to_thread(nersc.resource, "compute") + # Get the CFS resource for uploading files shared with compute jobs + cfs = await asyncio.to_thread(nersc.resource, "cfs") + target_dir = "/global/cfs/cdirs/m558/superfacility/model_training" + remote_training_script = f"{target_dir}/training_pm.sbatch" + + # Upload the configuration file and training script to NERSC + with tempfile.TemporaryDirectory() as temp_dir: + config_path = self._prepare_training_config(temp_dir) + # FIXME: Verify the IRI client keeps this ls contract + [target_path] = await cfs.ls(target_dir, directory=True) + with open(config_path, "rb") as temp_file: + print("Uploading configuration file to NERSC...") + temp_file.filename = "config.yaml" + # FIXME: Verify the IRI upload API keeps this file-object contract + await target_path.upload(temp_file) + + # Set the path of the script used to run the training job on NERSC + training_script_path = None + # Multiple locations supported, to make development easier: + # container (production): script is in cwd + # development, starting the gui app from dashboard/: script is in ../ml/ + # development, starting the gui app from the repo root dir: script is in ml/ + script_locations = [Path.cwd(), Path.cwd() / "../ml", Path.cwd() / "ml"] + for script_dir in script_locations: + script_path = script_dir / "training_pm.sbatch" + if os.path.exists(script_path): + training_script_path = script_path + break + if training_script_path is None: + raise RuntimeError("Could not find training_pm.sbatch") + + with open(training_script_path, "rb") as script_file: + print("Uploading training script to NERSC...") + script_file.filename = "training_pm.sbatch" + # FIXME: Verify the IRI upload API keeps this file-object contract + await target_path.upload(script_file) + + model_type = model_type_dict[state.model_type_verbose] + # Submit the training job through the AmSC IRI API + iriapi_job = await asyncio.to_thread( + perlmutter.submit, + executable="/bin/bash", + arguments=[remote_training_script, model_type], + directory=target_dir, + name="trainsf", + queue="realtime", + account="m558", + duration=15 * 60, + nodes=1, + stdout_path=f"{target_dir}/logs/sf.o%j", + stderr_path=f"{target_dir}/logs/sf.e%j", + constraint="gpu", + ) + state.model_training_status = "Submitted" + state.flush() + # Print some logs + print(f"Training job submitted (job ID: {iriapi_job.id})") + return await monitor_iriapi_job(iriapi_job, "model_training_status") + + except Exception as e: + title = "Unable to complete remote training" + msg = f"Error occurred when executing remote training: {e}" + add_error(title, msg) + print(msg) + state.model_training_status = "Failed" + state.flush() + return False + async def _training_kernel_local(self): try: ml_dir = (Path(__file__).parent / "../ml").resolve() @@ -327,6 +404,8 @@ async def training_async(self): result = await self._training_kernel_local() elif state.model_training_mode == "sfapi": result = await self._training_kernel_sfapi() + elif state.model_training_mode == "iriapi": + result = await self._training_kernel_iriapi() else: raise ValueError( f"Unsupported training mode: {state.model_training_mode}" From ad33a8da65d4350eba01eca8bb32d962bb97cfb4 Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Wed, 29 Apr 2026 15:36:36 -0700 Subject: [PATCH 10/58] Parse job submission options from batch script --- dashboard/model_manager.py | 154 +++++++++++++++++++++++++++---------- 1 file changed, 115 insertions(+), 39 deletions(-) diff --git a/dashboard/model_manager.py b/dashboard/model_manager.py index 09475d11..d6ae49a8 100644 --- a/dashboard/model_manager.py +++ b/dashboard/model_manager.py @@ -1,11 +1,13 @@ import asyncio from datetime import datetime -from pathlib import Path -import tempfile import os -import yaml import re +import shlex +from pathlib import Path +import tempfile + import mlflow +import yaml from sfapi_client import AsyncClient from sfapi_client.compute import Machine from trame.widgets import vuetify3 as vuetify @@ -22,6 +24,109 @@ } +SBATCH_SUBMIT_OPTION_MAP = { + "-J": "name", + "--job-name": "name", + "-q": "queue", + "--qos": "queue", + "-A": "account", + "--account": "account", + "-t": "duration", + "--time": "duration", + "-N": "nodes", + "--nodes": "nodes", + "-o": "stdout_path", + "--output": "stdout_path", + "-e": "stderr_path", + "--error": "stderr_path", +} +SBATCH_REQUIRED_SUBMIT_OPTIONS = set(SBATCH_SUBMIT_OPTION_MAP.values()) + + +def find_training_script_path(): + # Multiple locations supported, to make development easier: + # container (production): script is in cwd + # development, starting the gui app from dashboard/: script is in ../ml/ + # development, starting the gui app from the repo root dir: script is in ml/ + script_locations = [Path.cwd(), Path.cwd() / "../ml", Path.cwd() / "ml"] + for script_dir in script_locations: + script_path = script_dir / "training_pm.sbatch" + if script_path.exists(): + return script_path + raise RuntimeError("Could not find training_pm.sbatch") + + +def parse_slurm_duration(duration): + days = 0 + time_part = duration.strip() + has_days = "-" in time_part + if has_days: + day_part, time_part = time_part.split("-", 1) + days = int(day_part) + + time_values = [int(value) for value in time_part.split(":")] + if len(time_values) == 1: + if has_days: + seconds = time_values[0] * 60 * 60 + else: + seconds = time_values[0] * 60 + elif len(time_values) == 2: + if has_days: + hours, minutes = time_values + seconds = hours * 60 * 60 + minutes * 60 + else: + minutes, seconds_part = time_values + seconds = minutes * 60 + seconds_part + elif len(time_values) == 3: + hours, minutes, seconds_part = time_values + seconds = hours * 60 * 60 + minutes * 60 + seconds_part + else: + raise ValueError(f"Unsupported Slurm duration format: {duration}") + + return days * 24 * 60 * 60 + seconds + + +def parse_sbatch_submit_options(script_path): + submit_options = {} + with open(script_path) as script_file: + for line in script_file: + line = line.strip() + if not line.startswith("#SBATCH"): + continue + + directive = line.removeprefix("#SBATCH").strip() + if not directive: + continue + + tokens = shlex.split(directive, comments=True) + if not tokens: + continue + + option = tokens[0] + value = None + if "=" in option: + option, value = option.split("=", 1) + elif len(tokens) > 1: + value = tokens[1] + + submit_option = SBATCH_SUBMIT_OPTION_MAP.get(option) + if submit_option and value is not None: + submit_options[submit_option] = value + + missing_options = [ + option + for option in SBATCH_REQUIRED_SUBMIT_OPTIONS + if option not in submit_options + ] + if missing_options: + missing_list = ", ".join(sorted(set(missing_options))) + raise ValueError(f"Missing required SBATCH option(s): {missing_list}") + + submit_options["duration"] = parse_slurm_duration(submit_options["duration"]) + submit_options["nodes"] = int(submit_options["nodes"]) + return submit_options + + def enable_amsc_x_api_key(config_dict): """ MLflow authentication helper for the AmSC MLflow server. @@ -226,20 +331,9 @@ async def _training_kernel_sfapi(self): await target_path.upload(temp_file) # set the path of the script used to submit the training job on NERSC - training_script = None - # multiple locations supported, to make development easier - # container (production): script is in cwd - # development, starting the gui app from dashboard/: script is in ../ml/ - # development, starting the gui app from the repo root dir: script is in ml/ - script_locations = [Path.cwd(), Path.cwd() / "../ml", Path.cwd() / "ml"] - for script_dir in script_locations: - script_path = script_dir / "training_pm.sbatch" - if os.path.exists(script_path): - with open(script_path, "r") as file: - training_script = file.read() - break - if training_script is None: - raise RuntimeError("Could not find training_pm.sbatch") + training_script_path = find_training_script_path() + with open(training_script_path) as file: + training_script = file.read() # replace the --model argument in the python command with the current model type from the state training_script = re.sub( @@ -276,6 +370,9 @@ async def _training_kernel_iriapi(self): cfs = await asyncio.to_thread(nersc.resource, "cfs") target_dir = "/global/cfs/cdirs/m558/superfacility/model_training" remote_training_script = f"{target_dir}/training_pm.sbatch" + training_script_path = find_training_script_path() + submit_options = parse_sbatch_submit_options(training_script_path) + print(f"submit_options: {submit_options}") # Upload the configuration file and training script to NERSC with tempfile.TemporaryDirectory() as temp_dir: @@ -288,21 +385,6 @@ async def _training_kernel_iriapi(self): # FIXME: Verify the IRI upload API keeps this file-object contract await target_path.upload(temp_file) - # Set the path of the script used to run the training job on NERSC - training_script_path = None - # Multiple locations supported, to make development easier: - # container (production): script is in cwd - # development, starting the gui app from dashboard/: script is in ../ml/ - # development, starting the gui app from the repo root dir: script is in ml/ - script_locations = [Path.cwd(), Path.cwd() / "../ml", Path.cwd() / "ml"] - for script_dir in script_locations: - script_path = script_dir / "training_pm.sbatch" - if os.path.exists(script_path): - training_script_path = script_path - break - if training_script_path is None: - raise RuntimeError("Could not find training_pm.sbatch") - with open(training_script_path, "rb") as script_file: print("Uploading training script to NERSC...") script_file.filename = "training_pm.sbatch" @@ -316,13 +398,7 @@ async def _training_kernel_iriapi(self): executable="/bin/bash", arguments=[remote_training_script, model_type], directory=target_dir, - name="trainsf", - queue="realtime", - account="m558", - duration=15 * 60, - nodes=1, - stdout_path=f"{target_dir}/logs/sf.o%j", - stderr_path=f"{target_dir}/logs/sf.e%j", + **submit_options, constraint="gpu", ) state.model_training_status = "Submitted" From 860bc186aed4110b589c438c7667f3f0efff23c6 Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Wed, 29 Apr 2026 15:42:26 -0700 Subject: [PATCH 11/58] Port ls call to AmSC IRI API --- dashboard/model_manager.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/dashboard/model_manager.py b/dashboard/model_manager.py index d6ae49a8..518767bf 100644 --- a/dashboard/model_manager.py +++ b/dashboard/model_manager.py @@ -372,13 +372,13 @@ async def _training_kernel_iriapi(self): remote_training_script = f"{target_dir}/training_pm.sbatch" training_script_path = find_training_script_path() submit_options = parse_sbatch_submit_options(training_script_path) - print(f"submit_options: {submit_options}") # Upload the configuration file and training script to NERSC with tempfile.TemporaryDirectory() as temp_dir: config_path = self._prepare_training_config(temp_dir) - # FIXME: Verify the IRI client keeps this ls contract - [target_path] = await cfs.ls(target_dir, directory=True) + ls_task = await asyncio.to_thread(cfs.fs.ls, target_dir) + await asyncio.to_thread(ls_task.wait) + [target_path] = ls_task.result with open(config_path, "rb") as temp_file: print("Uploading configuration file to NERSC...") temp_file.filename = "config.yaml" From 53a637757c531b48223a6870d608b90ce4d13fda Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Wed, 29 Apr 2026 15:52:49 -0700 Subject: [PATCH 12/58] SBATCH_REQUIRED_SUBMIT_OPTIONS validation has redundant set() call --- dashboard/model_manager.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/dashboard/model_manager.py b/dashboard/model_manager.py index 518767bf..39c299b2 100644 --- a/dashboard/model_manager.py +++ b/dashboard/model_manager.py @@ -119,7 +119,7 @@ def parse_sbatch_submit_options(script_path): if option not in submit_options ] if missing_options: - missing_list = ", ".join(sorted(set(missing_options))) + missing_list = ", ".join(sorted(missing_options)) raise ValueError(f"Missing required SBATCH option(s): {missing_list}") submit_options["duration"] = parse_slurm_duration(submit_options["duration"]) From 9f340df4af8397b4ad8a08ba3882dfaefc399ae1 Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Wed, 29 Apr 2026 16:10:55 -0700 Subject: [PATCH 13/58] Do not share state variables between API providers --- dashboard/iriapi_manager.py | 12 ++++++------ dashboard/model_manager.py | 2 +- dashboard/parameters_manager.py | 2 +- dashboard/sfapi_manager.py | 16 ++++++++-------- dashboard/state_manager.py | 7 ++++--- 5 files changed, 20 insertions(+), 19 deletions(-) diff --git a/dashboard/iriapi_manager.py b/dashboard/iriapi_manager.py index fd2f15af..56b5b058 100644 --- a/dashboard/iriapi_manager.py +++ b/dashboard/iriapi_manager.py @@ -44,18 +44,18 @@ def update_iriapi_info(): # Update Perlmutter info nersc = client.facility("nersc") perlmutter = nersc.resource("compute") - state.perlmutter_description = f"{perlmutter.description}" - state.perlmutter_status = f"{perlmutter.status}" + state.iriapi_perlmutter_description = f"{perlmutter.description}" + state.iriapi_perlmutter_status = f"{perlmutter.status}" print( - f"Perlmutter status is {state.perlmutter_status} with description '{state.perlmutter_description}'" + f"Perlmutter status is {state.iriapi_perlmutter_status} with description '{state.iriapi_perlmutter_description}'" ) except Exception as e: print(f"An unexpected error occurred when connecting to AmSC IRI API:\n{e}") # Reset key expiration date state.iriapi_key_expiration = "Unavailable" # Reset Perlmutter status - state.perlmutter_description = "Unavailable" - state.perlmutter_status = "unavailable" + state.iriapi_perlmutter_description = "Unavailable" + state.iriapi_perlmutter_status = "unavailable" title = "Unable to connect to NERSC" msg = f"Error occurred when connecting to NERSC through the AmSC IRI API: {e}" add_error(title, msg) @@ -107,7 +107,7 @@ def load_iriapi_card(): with vuetify.VRow(): with vuetify.VCol(): vuetify.VTextField( - v_model=("perlmutter_description",), + v_model=("iriapi_perlmutter_description",), label="Perlmutter Status", readonly=True, ) diff --git a/dashboard/model_manager.py b/dashboard/model_manager.py index 39c299b2..08630ed7 100644 --- a/dashboard/model_manager.py +++ b/dashboard/model_manager.py @@ -545,7 +545,7 @@ def panel(self): "Train", click=self.training_trigger, disabled=( - "model_training || (model_training_mode === 'sfapi' && perlmutter_status !== 'active')", + "model_training || (model_training_mode === 'sfapi' && sfapi_perlmutter_status !== 'active')", ), style="text-transform: none", ) diff --git a/dashboard/parameters_manager.py b/dashboard/parameters_manager.py index 9cfc5a57..c02122fc 100644 --- a/dashboard/parameters_manager.py +++ b/dashboard/parameters_manager.py @@ -241,7 +241,7 @@ def panel(self): "Simulate", click=self.simulation_trigger, disabled=( - "simulation_running || perlmutter_status != 'active' || !simulatable", + "simulation_running || sfapi_perlmutter_status != 'active' || !simulatable", ), style="text-transform: none;", ) diff --git a/dashboard/sfapi_manager.py b/dashboard/sfapi_manager.py index 569c3296..18ff8883 100644 --- a/dashboard/sfapi_manager.py +++ b/dashboard/sfapi_manager.py @@ -62,10 +62,10 @@ def update_sfapi_info(): ) # update Perlmutter status status = client.compute(Machine.perlmutter) - state.perlmutter_description = f"{status.description}" - state.perlmutter_status = f"{status.status.value}" + state.sfapi_perlmutter_description = f"{status.description}" + state.sfapi_perlmutter_status = f"{status.status.value}" print( - f"Perlmutter status is {state.perlmutter_status} with description '{state.perlmutter_description}'" + f"Perlmutter status is {state.sfapi_perlmutter_status} with description '{state.sfapi_perlmutter_description}'" ) else: # reset key expiration date @@ -73,8 +73,8 @@ def update_sfapi_info(): f"Expired On {expiration.strftime(user_format)}" ) # reset Perlmutter status - state.perlmutter_description = "Unavailable" - state.perlmutter_status = "unavailable" + state.sfapi_perlmutter_description = "Unavailable" + state.sfapi_perlmutter_status = "unavailable" title = "Unable to find a valid Superfacility API key" msg = f"Superfacility API key expired on {expiration.strftime(user_format)}" add_error(title, msg) @@ -84,8 +84,8 @@ def update_sfapi_info(): # reset key expiration date state.sfapi_key_expiration = "Unavailable" # reset Perlmutter status - state.perlmutter_description = "Unavailable" - state.perlmutter_status = "unavailable" + state.sfapi_perlmutter_description = "Unavailable" + state.sfapi_perlmutter_status = "unavailable" title = "Unable to connect to NERSC" msg = f"Error occurred when connecting to NERSC through the Superfacility API: {e}" add_error(title, msg) @@ -132,7 +132,7 @@ def load_sfapi_card(): with vuetify.VRow(): with vuetify.VCol(): vuetify.VTextField( - v_model=("perlmutter_description",), + v_model=("sfapi_perlmutter_description",), label="Perlmutter Status", readonly=True, ) diff --git a/dashboard/state_manager.py b/dashboard/state_manager.py index 04f6466c..3bcfd272 100644 --- a/dashboard/state_manager.py +++ b/dashboard/state_manager.py @@ -43,14 +43,15 @@ def initialize_state(): state.iriapi_key = None state.iriapi_key_dict = None state.iriapi_key_expiration = "Unavailable" + state.iriapi_perlmutter_description = "Unavailable" + state.iriapi_perlmutter_status = "unavailable" # Superfacility API state.sfapi_client_id = None state.sfapi_key = None state.sfapi_key_dict = None state.sfapi_key_expiration = "Unavailable" - # NERSC - state.perlmutter_description = "Unavailable" - state.perlmutter_status = "unavailable" + state.sfapi_perlmutter_description = "Unavailable" + state.sfapi_perlmutter_status = "unavailable" # Simulation plots in interactive dialog state.simulation_url = None state.simulation_dialog = False From 3857e84eeab4999db4fb785fbdeb2102f05906b7 Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Wed, 29 Apr 2026 16:41:25 -0700 Subject: [PATCH 14/58] Clean up implementation of parse_slurm_duration --- dashboard/model_manager.py | 34 +++++++++++++++++----------------- 1 file changed, 17 insertions(+), 17 deletions(-) diff --git a/dashboard/model_manager.py b/dashboard/model_manager.py index 08630ed7..bf942608 100644 --- a/dashboard/model_manager.py +++ b/dashboard/model_manager.py @@ -60,30 +60,30 @@ def parse_slurm_duration(duration): days = 0 time_part = duration.strip() has_days = "-" in time_part + if has_days: day_part, time_part = time_part.split("-", 1) days = int(day_part) - time_values = [int(value) for value in time_part.split(":")] - if len(time_values) == 1: - if has_days: - seconds = time_values[0] * 60 * 60 - else: - seconds = time_values[0] * 60 - elif len(time_values) == 2: - if has_days: - hours, minutes = time_values - seconds = hours * 60 * 60 + minutes * 60 - else: - minutes, seconds_part = time_values - seconds = minutes * 60 + seconds_part - elif len(time_values) == 3: - hours, minutes, seconds_part = time_values - seconds = hours * 60 * 60 + minutes * 60 + seconds_part + time_values = [int(v) for v in time_part.split(":")] + n = len(time_values) + + if n == 3: + hours, minutes, secs = time_values + elif n == 2: + hours, minutes, secs = ( + (time_values[0], time_values[1], 0) + if has_days + else (0, time_values[0], time_values[1]) + ) + elif n == 1: + hours, minutes, secs = ( + (time_values[0], 0, 0) if has_days else (0, time_values[0], 0) + ) else: raise ValueError(f"Unsupported Slurm duration format: {duration}") - return days * 24 * 60 * 60 + seconds + return days * 86400 + hours * 3600 + minutes * 60 + secs def parse_sbatch_submit_options(script_path): From 32ac575c7f2a894679a9994983776b8324c4e2de Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Wed, 29 Apr 2026 16:46:22 -0700 Subject: [PATCH 15/58] Improve inline comments --- dashboard/app.py | 2 +- dashboard/hpc_manager.py | 4 +++- dashboard/iriapi_manager.py | 8 +++++--- dashboard/model_manager.py | 4 ++++ 4 files changed, 13 insertions(+), 5 deletions(-) diff --git a/dashboard/app.py b/dashboard/app.py index 9e086b12..883c87bb 100644 --- a/dashboard/app.py +++ b/dashboard/app.py @@ -365,7 +365,7 @@ def hpc_route(): with RouterViewLayout(server, "/hpc"): with vuetify.VRow(): with vuetify.VCol(cols=4): - # Superfacility API card + # Render the backend selector and its matching credentials form. with vuetify.VRow(): with vuetify.VCol(): load_hpc_card() diff --git a/dashboard/hpc_manager.py b/dashboard/hpc_manager.py index 89e5a6d5..3b13f1d8 100644 --- a/dashboard/hpc_manager.py +++ b/dashboard/hpc_manager.py @@ -19,7 +19,7 @@ def sync_hpc_connection(**kwargs): print( f"HPC connection changed to {HPC_CONNECTION_LABELS[state.hpc_connection]}" ) - # Overwrite model training mode and simulation running mode + # Keep the training backend aligned with the selected HPC connection. state.model_training_mode = state.hpc_connection # state.simulation_running_mode = state.hpc_connection # TODO @@ -29,6 +29,7 @@ def load_hpc_card(): with vuetify.VCard(): with vuetify.VCardTitle("HPC Connection"): with vuetify.VCardText(): + # Let users choose the backend used by remote training workflows. with vuetify.VRow(): with vuetify.VCol(): vuetify.VSelect( @@ -43,6 +44,7 @@ def load_hpc_card(): dense=True, hide_details=True, ) + # Show only the credential panel for the selected remote backend. with vuetify.VRow(v_if=("hpc_connection == 'sfapi'",)): with vuetify.VCol(): load_sfapi_card() diff --git a/dashboard/iriapi_manager.py b/dashboard/iriapi_manager.py index 56b5b058..64b3e5de 100644 --- a/dashboard/iriapi_manager.py +++ b/dashboard/iriapi_manager.py @@ -15,6 +15,7 @@ def create_iriapi_client(): if not iriapi_key: raise ValueError("Missing AmSC IRI API token") client = Client(token=iriapi_key) + # Register NERSC before requesting facility resources through the IRI client. client.register_facility( "nersc", auth_method="token", @@ -26,6 +27,7 @@ def create_iriapi_client(): async def monitor_iriapi_job(iriapi_job, state_variable): while not iriapi_job.is_terminal: await asyncio.sleep(5) + # Refresh in a worker thread because the IRI client call is synchronous. await asyncio.to_thread(iriapi_job.refresh) # Make the status more readable by putting in spaces and capitalizing the words. job_status = iriapi_job.state.replace("_", " ").title() @@ -41,7 +43,7 @@ def update_iriapi_info(): try: # Create an authenticated client client = create_iriapi_client() - # Update Perlmutter info + # Ping Perlmutter so the UI reflects the current IRI resource status. nersc = client.facility("nersc") perlmutter = nersc.resource("compute") state.iriapi_perlmutter_description = f"{perlmutter.description}" @@ -64,7 +66,7 @@ def update_iriapi_info(): @state.change("iriapi_key_dict") def load_iriapi_credentials(**kwargs): - # Load credentials from the uploaded token file + # Decode the uploaded token file and immediately validate it against IRI. if state.iriapi_key_dict is not None: print("Loading AmSC IRI API credentials from file...") state.iriapi_key = state.iriapi_key_dict["content"].decode("utf-8").strip() @@ -76,7 +78,7 @@ def load_iriapi_credentials(**kwargs): def load_iriapi_card(): print("Setting AmSC IRI API card...") - # Prefer an environment-provided token when running in deployed contexts + # Prefer an environment-provided token when running in deployed contexts. iri_access_token = os.environ.get(IRI_ACCESS_TOKEN_ENV, "").strip() if iri_access_token: print("Loading AmSC IRI API credentials from environment...") diff --git a/dashboard/model_manager.py b/dashboard/model_manager.py index bf942608..6a34422f 100644 --- a/dashboard/model_manager.py +++ b/dashboard/model_manager.py @@ -68,6 +68,7 @@ def parse_slurm_duration(duration): time_values = [int(v) for v in time_part.split(":")] n = len(time_values) + # Slurm treats ambiguous two-part durations differently with a day prefix. if n == 3: hours, minutes, secs = time_values elif n == 2: @@ -98,6 +99,7 @@ def parse_sbatch_submit_options(script_path): if not directive: continue + # Use shell parsing so quoted SBATCH values are handled correctly. tokens = shlex.split(directive, comments=True) if not tokens: continue @@ -122,6 +124,7 @@ def parse_sbatch_submit_options(script_path): missing_list = ", ".join(sorted(missing_options)) raise ValueError(f"Missing required SBATCH option(s): {missing_list}") + # Convert values to the types expected by the IRI submit endpoint. submit_options["duration"] = parse_slurm_duration(submit_options["duration"]) submit_options["nodes"] = int(submit_options["nodes"]) return submit_options @@ -371,6 +374,7 @@ async def _training_kernel_iriapi(self): target_dir = "/global/cfs/cdirs/m558/superfacility/model_training" remote_training_script = f"{target_dir}/training_pm.sbatch" training_script_path = find_training_script_path() + # Reuse SBATCH directives so IRI submissions match the batch script. submit_options = parse_sbatch_submit_options(training_script_path) # Upload the configuration file and training script to NERSC From 8f831abbb6e4cc73b6568b1d5107409c47b6a33f Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Thu, 30 Apr 2026 10:46:49 -0700 Subject: [PATCH 16/58] Comment out facility registration, use Globus auth --- dashboard/iriapi_manager.py | 16 +++++++++------- 1 file changed, 9 insertions(+), 7 deletions(-) diff --git a/dashboard/iriapi_manager.py b/dashboard/iriapi_manager.py index 64b3e5de..626023ba 100644 --- a/dashboard/iriapi_manager.py +++ b/dashboard/iriapi_manager.py @@ -14,13 +14,15 @@ def create_iriapi_client(): iriapi_key = (state.iriapi_key or "").strip() if not iriapi_key: raise ValueError("Missing AmSC IRI API token") - client = Client(token=iriapi_key) - # Register NERSC before requesting facility resources through the IRI client. - client.register_facility( - "nersc", - auth_method="token", - token=iriapi_key, - ) + # Token registration is kept here for quick reactivation if needed. + # client = Client(token=iriapi_key) + # client.register_facility( + # "nersc", + # auth_method="token", + # token=iriapi_key, + # ) + # Use Globus auth while token-based facility registration is disabled. + client = Client(auth_method="globus") return client From 1d6dc938440881c7908e5e8505a8642793b99699 Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Thu, 30 Apr 2026 10:51:49 -0700 Subject: [PATCH 17/58] Update job submission specs through AmSC IRI API --- dashboard/model_manager.py | 124 +++++++++++++++++++++++++++++++++---- 1 file changed, 112 insertions(+), 12 deletions(-) diff --git a/dashboard/model_manager.py b/dashboard/model_manager.py index 6a34422f..bb43e3e5 100644 --- a/dashboard/model_manager.py +++ b/dashboard/model_manager.py @@ -39,8 +39,17 @@ "--output": "stdout_path", "-e": "stderr_path", "--error": "stderr_path", + "-C": "constraint", + "--constraint": "constraint", + "--gpus-per-node": "gpus-per-node", + "--ntasks-per-node": "ntasks-per-node", } SBATCH_REQUIRED_SUBMIT_OPTIONS = set(SBATCH_SUBMIT_OPTION_MAP.values()) +IRI_TRAINING_LAUNCH_PREFIX = ("srun", "podman-hpc", "run") # Container launch marker. +# Match model=$1 or model=${1}, with optional comment. +SCRIPT_MODEL_ARGUMENT_RE = re.compile(r"^model=\$\{?1\}?\s*(#.*)?$") +# Capture shell assignments like REGISTRY_NAME=value, ignoring trailing comments. +SHELL_ASSIGNMENT_RE = re.compile(r"^([A-Za-z_][A-Za-z0-9_]*)=(.+?)(?:\s+#.*)?$") def find_training_script_path(): @@ -57,6 +66,7 @@ def find_training_script_path(): def parse_slurm_duration(duration): + # Normalize Slurm duration variants to the seconds expected by IRI. days = 0 time_part = duration.strip() has_days = "-" in time_part @@ -88,6 +98,7 @@ def parse_slurm_duration(duration): def parse_sbatch_submit_options(script_path): + # Extract only SBATCH fields that map cleanly onto IRI submit options. submit_options = {} with open(script_path) as script_file: for line in script_file: @@ -130,6 +141,101 @@ def parse_sbatch_submit_options(script_path): return submit_options +def collapse_shell_command(lines): + # Preserve trailing-backslash continuations before tokenizing with shlex. + command_parts = [] + current_command = "" + for line in lines: + stripped = line.strip() + if stripped.endswith("\\"): + current_command += f"{stripped[:-1]} " + else: + command_parts.append(f"{current_command}{stripped}".strip()) + current_command = "" + + if current_command: + command_parts.append(current_command.strip()) + + return " ".join(command_parts) + + +def parse_shell_variable_assignments(lines): + # Keep static shell assignments that can be expanded without execution. + variables = {} + for line in lines: + match = SHELL_ASSIGNMENT_RE.match(line.strip()) + if not match: + continue + + name, raw_value = match.groups() + if "$(" in raw_value or "`" in raw_value: + continue + + values = shlex.split(raw_value, comments=True) + if len(values) == 1: + variables[name] = values[0] + + return variables + + +def expand_iri_launch_argument(argument, model_type, variables): + # Expand the simple $name and ${name} forms used by training_pm.sbatch. + replacements = {**variables, "model": model_type} + for name, value in replacements.items(): + argument = argument.replace(f"${{{name}}}", value) + argument = argument.replace(f"${name}", value) + return argument + + +def parse_iri_training_launch_spec(script_path, model_type): + # Split the batch script into setup lines and the podman-hpc launch command. + pre_launch_lines = [] + launch_lines = [] + found_launch = False + + with open(script_path) as script_file: + for raw_line in script_file: + line = raw_line.rstrip() + stripped = line.strip() + + if found_launch: + launch_lines.append(line) + elif stripped.startswith(" ".join(IRI_TRAINING_LAUNCH_PREFIX)): + found_launch = True + launch_lines.append(line) + elif SCRIPT_MODEL_ARGUMENT_RE.match(stripped): + pre_launch_lines.append(f"model={shlex.quote(model_type)}") + elif ( + stripped + and not stripped.startswith("#!") + and not stripped.startswith("#SBATCH") + ): + pre_launch_lines.append(line) + + if not launch_lines: + raise ValueError("Could not find the IRI training launch command") + + launch_command = collapse_shell_command(launch_lines) + launch_tokens = shlex.split(launch_command) + variables = parse_shell_variable_assignments(pre_launch_lines) + # IRI submit expects launcher, executable, and arguments separately. + launch_prefix_length = len(IRI_TRAINING_LAUNCH_PREFIX) + launch_prefix = launch_tokens[:launch_prefix_length] + launcher, *executable_tokens = launch_prefix + executable = " ".join(executable_tokens) + arguments = [ + expand_iri_launch_argument(argument, model_type, variables) + for argument in launch_tokens[launch_prefix_length:] + ] + + return { + "arguments": arguments, + "executable": executable, + "launcher": launcher, + "pre_launch": "\n".join(pre_launch_lines), + } + + def enable_amsc_x_api_key(config_dict): """ MLflow authentication helper for the AmSC MLflow server. @@ -372,12 +478,15 @@ async def _training_kernel_iriapi(self): # Get the CFS resource for uploading files shared with compute jobs cfs = await asyncio.to_thread(nersc.resource, "cfs") target_dir = "/global/cfs/cdirs/m558/superfacility/model_training" - remote_training_script = f"{target_dir}/training_pm.sbatch" training_script_path = find_training_script_path() + model_type = model_type_dict[state.model_type_verbose] # Reuse SBATCH directives so IRI submissions match the batch script. submit_options = parse_sbatch_submit_options(training_script_path) + launch_spec = parse_iri_training_launch_spec( + training_script_path, model_type + ) - # Upload the configuration file and training script to NERSC + # Training script is parsed locally; only config.yaml is uploaded. with tempfile.TemporaryDirectory() as temp_dir: config_path = self._prepare_training_config(temp_dir) ls_task = await asyncio.to_thread(cfs.fs.ls, target_dir) @@ -389,21 +498,12 @@ async def _training_kernel_iriapi(self): # FIXME: Verify the IRI upload API keeps this file-object contract await target_path.upload(temp_file) - with open(training_script_path, "rb") as script_file: - print("Uploading training script to NERSC...") - script_file.filename = "training_pm.sbatch" - # FIXME: Verify the IRI upload API keeps this file-object contract - await target_path.upload(script_file) - - model_type = model_type_dict[state.model_type_verbose] # Submit the training job through the AmSC IRI API iriapi_job = await asyncio.to_thread( perlmutter.submit, - executable="/bin/bash", - arguments=[remote_training_script, model_type], directory=target_dir, **submit_options, - constraint="gpu", + **launch_spec, ) state.model_training_status = "Submitted" state.flush() From 6feef110fb0aa74b2b13594595504408de1b52fa Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Fri, 1 May 2026 16:09:29 -0700 Subject: [PATCH 18/58] Harden training script: credentials validation, error handling, security fixes --- ml/training_pm.sbatch | 33 +++++++++++++++++++++++++-------- 1 file changed, 25 insertions(+), 8 deletions(-) diff --git a/ml/training_pm.sbatch b/ml/training_pm.sbatch index a4f3cfdf..6f8f71dc 100644 --- a/ml/training_pm.sbatch +++ b/ml/training_pm.sbatch @@ -1,4 +1,5 @@ #!/bin/bash -l +set -euo pipefail #SBATCH -t 00:15:00 #SBATCH -N 1 @@ -19,13 +20,29 @@ model=${1} # e.g., "NN", "GP", etc. # Ids, but should compare image Digests. # We did not find a way to compare digests between the docker registry # and the local podman-hpc images (they change, conversion?) -SECONDS=0 # built-in bash timer: reset -source $HOME/registry.profile # credential variables: REGISTRY_USER and REGISTRY_PASSWORD +SECONDS=0 # built-in bash timer: reset +REGISTRY_PROFILE="$HOME/registry.profile" +DB_ENV_FILE="$HOME/db-podman.profile" REGISTRY_NAME="registry.nersc.gov" IMAGE_NAME="m558/superfacility/synapse-ml" IMAGE_VERSION="latest" -podman-hpc login --username "${REGISTRY_USER}" --password "${REGISTRY_PASSWORD}" ${REGISTRY_NAME} +if [ ! -r "${REGISTRY_PROFILE}" ]; then + echo "Missing registry credentials file: ${REGISTRY_PROFILE}" >&2 + echo "Create it with REGISTRY_USER and REGISTRY_PASSWORD for ${REGISTRY_NAME}." >&2 + exit 1 +fi +source "${REGISTRY_PROFILE}" # credential variables: REGISTRY_USER and REGISTRY_PASSWORD +: "${REGISTRY_USER:?REGISTRY_USER must be set in ${REGISTRY_PROFILE}}" +: "${REGISTRY_PASSWORD:?REGISTRY_PASSWORD must be set in ${REGISTRY_PROFILE}}" + +if [ ! -r "${DB_ENV_FILE}" ]; then + echo "Missing container environment file: ${DB_ENV_FILE}" >&2 + echo "Create it with SF_DB_READONLY_PASSWORD and AM_SC_API_KEY." >&2 + exit 1 +fi + +printf '%s\n' "${REGISTRY_PASSWORD}" | podman-hpc login --username "${REGISTRY_USER}" --password-stdin "${REGISTRY_NAME}" # As the local image, we use the digest id. # podman-hpc lists to entries with the same digest id, # one local and one migrated (read-write and read-only). @@ -35,21 +52,21 @@ LOCAL_SHA="sha256:"$(podman-hpc images --digests --format "{{.Id}}" ${REGISTRY_N OCI_INDEX_TYPE="application/vnd.oci.image.index.v1+json" OCI_MANIFEST_TYPE="application/vnd.oci.image.manifest.v1+json" # first we unwarp the provenance information to pick the right image manifest -MANIFEST_INDEX=$(curl -s \ +MANIFEST_INDEX=$(curl -fsS \ -H "Accept: ${OCI_INDEX_TYPE}" \ -u "${REGISTRY_USER}:${REGISTRY_PASSWORD}" \ "https://${REGISTRY_NAME}/v2/${IMAGE_NAME}/manifests/${IMAGE_VERSION}" | \ - jq -r '.manifests[] | select(.annotations["vnd.docker.reference.type"] != "attestation-manifest") | .digest' || echo "NOOCI") + jq -er '(.manifests // [])[] | select(.annotations["vnd.docker.reference.type"] != "attestation-manifest") | .digest' || echo "NOOCI") # fallback for old Docker builders without OCI index if [ "${MANIFEST_INDEX}" == "NOOCI" ]; then MANIFEST_INDEX=${IMAGE_VERSION} fi # then we download the manifest of the image and parse out the config digest SHA -REMOTE_SHA=$(curl -s \ +REMOTE_SHA=$(curl -fsS \ -H "Accept: ${OCI_MANIFEST_TYPE}" \ -u "${REGISTRY_USER}:${REGISTRY_PASSWORD}" \ "https://${REGISTRY_NAME}/v2/${IMAGE_NAME}/manifests/${MANIFEST_INDEX}" | \ - jq -r '.config.digest') + jq -er '.config.digest') if [ "$LOCAL_SHA" != "$REMOTE_SHA" ]; then echo "Ids are different." @@ -67,6 +84,6 @@ echo "Container check/pull took ${SECONDS} seconds." srun podman-hpc run --gpu \ -v /etc/localtime:/etc/localtime \ -v /global/cfs/cdirs/m558/superfacility/model_training/config.yaml:/app/ml/config.yaml \ - --env-file $HOME/db-podman.profile \ + --env-file "${DB_ENV_FILE}" \ --rm -it ${REGISTRY_NAME}/${IMAGE_NAME}:${IMAGE_VERSION} \ python -u /app/ml/train_model.py --config_file /app/ml/config.yaml --model ${model} From b5f64ff1e10f14e1c111cbfe21ff4dc87a412a8b Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Fri, 1 May 2026 16:42:12 -0700 Subject: [PATCH 19/58] Update `upload` call based on local patch --- dashboard/model_manager.py | 15 +++++++-------- 1 file changed, 7 insertions(+), 8 deletions(-) diff --git a/dashboard/model_manager.py b/dashboard/model_manager.py index 7def1c2e..959fd2e8 100644 --- a/dashboard/model_manager.py +++ b/dashboard/model_manager.py @@ -482,14 +482,13 @@ async def _training_kernel_iriapi(self): # Training script is parsed locally; only config.yaml is uploaded. with tempfile.TemporaryDirectory() as temp_dir: config_path = self._prepare_training_config(temp_dir) - ls_task = await asyncio.to_thread(cfs.fs.ls, target_dir) - await asyncio.to_thread(ls_task.wait) - [target_path] = ls_task.result - with open(config_path, "rb") as temp_file: - print("Uploading configuration file to NERSC...") - temp_file.filename = "config.yaml" - # FIXME: Verify the IRI upload API keeps this file-object contract - await target_path.upload(temp_file) + print("Uploading configuration file to NERSC...") + upload_task = await asyncio.to_thread( + cfs.fs.upload, + config_path, + f"{target_dir}/config.yaml", + ) + await asyncio.to_thread(upload_task.wait) # Submit the training job through the AmSC IRI API iriapi_job = await asyncio.to_thread( From 2d6e7398f67da23a154e836d03bca5658022b756 Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Fri, 1 May 2026 16:55:11 -0700 Subject: [PATCH 20/58] Debugging job submission through AmSC IRI API --- dashboard/model_manager.py | 62 +++++++++++++++++++++++++++++--------- 1 file changed, 47 insertions(+), 15 deletions(-) diff --git a/dashboard/model_manager.py b/dashboard/model_manager.py index 959fd2e8..5cb90cf5 100644 --- a/dashboard/model_manager.py +++ b/dashboard/model_manager.py @@ -47,6 +47,12 @@ } SBATCH_REQUIRED_SUBMIT_OPTIONS = set(SBATCH_SUBMIT_OPTION_MAP.values()) IRI_TRAINING_LAUNCH_PREFIX = ("srun", "podman-hpc", "run") # Container launch marker. +IRI_SLURM_CUSTOM_ATTRIBUTE_MAP = { + "constraint": "slurm.constraint", + "gpus-per-node": "slurm.gpus-per-node", + "ntasks-per-node": "slurm.ntasks-per-node", + "queue": "slurm.qos", +} # Match model=$1 or model=${1}, with optional comment. SCRIPT_MODEL_ARGUMENT_RE = re.compile(r"^model=\$\{?1\}?\s*(#.*)?$") # Capture shell assignments like REGISTRY_NAME=value, ignoring trailing comments. @@ -142,6 +148,15 @@ def parse_sbatch_submit_options(script_path): return submit_options +def build_iri_slurm_submit_options(sbatch_submit_options): + # IRI submits a PSI/J job spec. Slurm-specific options need the `slurm.` + # custom-attribute prefix so they render as SBATCH directives. + return { + IRI_SLURM_CUSTOM_ATTRIBUTE_MAP.get(option, option): value + for option, value in sbatch_submit_options.items() + } + + def collapse_shell_command(lines): # Preserve trailing-backslash continuations before tokenizing with shlex. command_parts = [] @@ -179,13 +194,19 @@ def parse_shell_variable_assignments(lines): return variables -def expand_iri_launch_argument(argument, model_type, variables): - # Expand the simple $name and ${name} forms used by training_pm.sbatch. +def expand_iri_shell_command(command, model_type, variables): + # Expand values we can resolve locally while preserving runtime shell + # variables like $HOME for the remote login shell on Perlmutter. + expanded = command replacements = {**variables, "model": model_type} - for name, value in replacements.items(): - argument = argument.replace(f"${{{name}}}", value) - argument = argument.replace(f"${name}", value) - return argument + for _ in replacements: + previous = expanded + for name, value in replacements.items(): + expanded = expanded.replace(f"${{{name}}}", value) + expanded = expanded.replace(f"${name}", value) + if expanded == previous: + break + return expanded def parse_iri_training_launch_spec(script_path, model_type): @@ -219,15 +240,17 @@ def parse_iri_training_launch_spec(script_path, model_type): launch_command = collapse_shell_command(launch_lines) launch_tokens = shlex.split(launch_command) variables = parse_shell_variable_assignments(pre_launch_lines) - # IRI submit expects launcher, executable, and arguments separately. + # IRI submit expects launcher, executable, and arguments separately. `run` + # is a podman-hpc subcommand, not part of the executable path. launch_prefix_length = len(IRI_TRAINING_LAUNCH_PREFIX) - launch_prefix = launch_tokens[:launch_prefix_length] - launcher, *executable_tokens = launch_prefix - executable = " ".join(executable_tokens) - arguments = [ - expand_iri_launch_argument(argument, model_type, variables) - for argument in launch_tokens[launch_prefix_length:] - ] + if tuple(launch_tokens[:launch_prefix_length]) != IRI_TRAINING_LAUNCH_PREFIX: + raise ValueError("IRI training launch command does not match expected prefix") + + launcher = launch_tokens[0] + executable = "/bin/bash" + shell_command = re.sub(r"^\s*srun\s+", "", launch_command, count=1) + shell_command = expand_iri_shell_command(shell_command, model_type, variables) + arguments = ["-lc", shell_command] return { "arguments": arguments, @@ -474,10 +497,19 @@ async def _training_kernel_iriapi(self): training_script_path = find_training_script_path() model_type = model_type_dict[state.model_type_verbose] # Reuse SBATCH directives so IRI submissions match the batch script. - submit_options = parse_sbatch_submit_options(training_script_path) + sbatch_submit_options = parse_sbatch_submit_options(training_script_path) + submit_options = build_iri_slurm_submit_options(sbatch_submit_options) launch_spec = parse_iri_training_launch_spec( training_script_path, model_type ) + print( + "IRI training submit options: " + f"account={submit_options['account']}, " + f"qos={submit_options['slurm.qos']}, " + f"constraint={submit_options['slurm.constraint']}, " + f"nodes={submit_options['nodes']}, " + f"duration={submit_options['duration']}" + ) # Training script is parsed locally; only config.yaml is uploaded. with tempfile.TemporaryDirectory() as temp_dir: From 671d8b1b598d789bcf1ba02f1b8a79311c0f6fe8 Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Fri, 1 May 2026 17:08:37 -0700 Subject: [PATCH 21/58] Start splitting simulation and ML training execution modes --- dashboard/app.py | 8 ++- dashboard/hpc_manager.py | 88 ++++++++++++++++++++------------- dashboard/parameters_manager.py | 13 ++++- dashboard/state_manager.py | 4 +- 4 files changed, 70 insertions(+), 43 deletions(-) diff --git a/dashboard/app.py b/dashboard/app.py index 883c87bb..62560153 100644 --- a/dashboard/app.py +++ b/dashboard/app.py @@ -69,9 +69,7 @@ def update( # derive execution mode from execution_mode in the experiment configuration file execution_mode = config_dict.get("execution_mode") or {} state.model_training_mode = execution_mode.get("ml_training", "local") - # sync hpc_connection to the execution mode set in the experiment configuration file - # (TODO decouple ML training mode and simulation running mode in the future) - state.hpc_connection = state.model_training_mode + state.simulation_running_mode = execution_mode.get("simulation", "local") db = load_database(config_dict) exp_data, sim_data = load_data(db, state.experiment, state.experiment_date_range) # reset output @@ -364,8 +362,8 @@ def hpc_route(): print("Setting GUI HPC route...") with RouterViewLayout(server, "/hpc"): with vuetify.VRow(): - with vuetify.VCol(cols=4): - # Render the backend selector and its matching credentials form. + with vuetify.VCol(cols=12): + # Render the backend selector and both API credential cards. with vuetify.VRow(): with vuetify.VCol(): load_hpc_card() diff --git a/dashboard/hpc_manager.py b/dashboard/hpc_manager.py index 3b13f1d8..39e79dc3 100644 --- a/dashboard/hpc_manager.py +++ b/dashboard/hpc_manager.py @@ -5,49 +5,71 @@ from state_manager import state # Mapping from internal execution mode values to display labels -HPC_CONNECTION_LABELS = { +EXECUTION_MODE_LABELS = { "local": "Local", "iriapi": "AmSC IRI API", "sfapi": "NERSC Superfacility API", } -@state.change("hpc_connection") -def sync_hpc_connection(**kwargs): +def execution_mode_items(): + return [ + {"title": label, "value": mode} for mode, label in EXECUTION_MODE_LABELS.items() + ] + + +@state.change("simulation_running_mode") +def log_simulation_running_mode(**kwargs): + # skip if triggered on server ready (all state variables marked as modified) + if len(state.modified_keys) == 1: + label = EXECUTION_MODE_LABELS.get( + state.simulation_running_mode, state.simulation_running_mode + ) + print(f"Simulation execution mode changed to {label}") + + +@state.change("model_training_mode") +def log_model_training_mode(**kwargs): # skip if triggered on server ready (all state variables marked as modified) if len(state.modified_keys) == 1: - print( - f"HPC connection changed to {HPC_CONNECTION_LABELS[state.hpc_connection]}" + label = EXECUTION_MODE_LABELS.get( + state.model_training_mode, state.model_training_mode ) - # Keep the training backend aligned with the selected HPC connection. - state.model_training_mode = state.hpc_connection - # state.simulation_running_mode = state.hpc_connection # TODO + print(f"ML training execution mode changed to {label}") def load_hpc_card(): print("Setting HPC card...") - with vuetify.VCard(): - with vuetify.VCardTitle("HPC Connection"): - with vuetify.VCardText(): - # Let users choose the backend used by remote training workflows. - with vuetify.VRow(): - with vuetify.VCol(): - vuetify.VSelect( - v_model=("hpc_connection",), - label="Execution Mode", - items=( - [ - {"title": label, "value": mode} - for mode, label in HPC_CONNECTION_LABELS.items() - ], - ), - dense=True, - hide_details=True, - ) - # Show only the credential panel for the selected remote backend. - with vuetify.VRow(v_if=("hpc_connection == 'sfapi'",)): - with vuetify.VCol(): - load_sfapi_card() - with vuetify.VRow(v_if=("hpc_connection == 'iriapi'",)): - with vuetify.VCol(): - load_iriapi_card() + with vuetify.VRow(): + with vuetify.VCol(cols=12): + with vuetify.VCard(): + vuetify.VCardTitle("Execution Mode") + with vuetify.VCardText(): + with vuetify.VRow(): + with vuetify.VCol(cols=12, md=6): + vuetify.VSelect( + v_model=("simulation_running_mode",), + label="Simulations", + items=(execution_mode_items(),), + dense=True, + hide_details=True, + ) + with vuetify.VCol(cols=12, md=6): + vuetify.VSelect( + v_model=("model_training_mode",), + label="ML Training", + items=(execution_mode_items(),), + dense=True, + hide_details=True, + ) + with vuetify.VRow(): + with vuetify.VCol(cols=12, md=6): + with vuetify.VCard(): + vuetify.VCardTitle("NERSC Superfacility API") + with vuetify.VCardText(): + load_sfapi_card() + with vuetify.VCol(cols=12, md=6): + with vuetify.VCard(): + vuetify.VCardTitle("AmSC IRI API") + with vuetify.VCardText(): + load_iriapi_card() diff --git a/dashboard/parameters_manager.py b/dashboard/parameters_manager.py index c02122fc..e9af54de 100644 --- a/dashboard/parameters_manager.py +++ b/dashboard/parameters_manager.py @@ -121,7 +121,13 @@ async def simulation_async(self): state.simulation_running = True state.simulation_running_status = "Submitting" state.flush() - if await self.simulation_kernel(): + if state.simulation_running_mode == "sfapi": + result = await self.simulation_kernel() + else: + raise ValueError( + f"Unsupported simulation mode: {state.simulation_running_mode}" + ) + if result: state.simulation_running_time = datetime.now().strftime( "%Y-%m-%d %H:%M" ) @@ -136,6 +142,9 @@ async def simulation_async(self): msg = f"Error occurred when running simulation: {e}" add_error(title, msg) print(msg) + state.simulation_running = False + state.simulation_running_status = "Failed" + state.flush() def simulation_trigger(self): try: @@ -241,7 +250,7 @@ def panel(self): "Simulate", click=self.simulation_trigger, disabled=( - "simulation_running || sfapi_perlmutter_status != 'active' || !simulatable", + "simulation_running || !simulatable || simulation_running_mode !== 'sfapi' || sfapi_perlmutter_status !== 'active'", ), style="text-transform: none;", ) diff --git a/dashboard/state_manager.py b/dashboard/state_manager.py index 3bcfd272..b67c9e90 100644 --- a/dashboard/state_manager.py +++ b/dashboard/state_manager.py @@ -37,8 +37,6 @@ def initialize_state(): state.optimization_status = None # Opacity state.opacity = 0.05 - # HPC connection - state.hpc_connection = "local" # IRI API state.iriapi_key = None state.iriapi_key_dict = None @@ -58,7 +56,7 @@ def initialize_state(): state.simulation_video = False # Simulation jobs state.simulation_running = False - # state.simulation_running_mode = "local" # TODO + state.simulation_running_mode = "local" state.simulation_running_status = None state.simulation_running_time = None state.simulatable = False From d37d04fcaa665eaa51fff9c229cdd271adc83dba Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Mon, 4 May 2026 13:21:44 -0700 Subject: [PATCH 22/58] Duplicated logging functions in hpc_manager.py --- dashboard/hpc_manager.py | 21 +++++++++------------ 1 file changed, 9 insertions(+), 12 deletions(-) diff --git a/dashboard/hpc_manager.py b/dashboard/hpc_manager.py index 39e79dc3..45e5b033 100644 --- a/dashboard/hpc_manager.py +++ b/dashboard/hpc_manager.py @@ -18,24 +18,21 @@ def execution_mode_items(): ] +def _log_mode_change(state_key, description): + if len(state.modified_keys) == 1: + value = state[state_key] + label = EXECUTION_MODE_LABELS.get(value, value) + print(f"{description} execution mode changed to {label}") + + @state.change("simulation_running_mode") def log_simulation_running_mode(**kwargs): - # skip if triggered on server ready (all state variables marked as modified) - if len(state.modified_keys) == 1: - label = EXECUTION_MODE_LABELS.get( - state.simulation_running_mode, state.simulation_running_mode - ) - print(f"Simulation execution mode changed to {label}") + _log_mode_change("simulation_running_mode", "Simulation") @state.change("model_training_mode") def log_model_training_mode(**kwargs): - # skip if triggered on server ready (all state variables marked as modified) - if len(state.modified_keys) == 1: - label = EXECUTION_MODE_LABELS.get( - state.model_training_mode, state.model_training_mode - ) - print(f"ML training execution mode changed to {label}") + _log_mode_change("model_training_mode", "ML training") def load_hpc_card(): From a588880b98f3ca1c9ee799a40326126f8747d912 Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Mon, 4 May 2026 14:58:29 -0700 Subject: [PATCH 23/58] Redundant EXECUTION_MODE_LABELS.get(x, x) pattern --- dashboard/hpc_manager.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/dashboard/hpc_manager.py b/dashboard/hpc_manager.py index 45e5b033..20bd6232 100644 --- a/dashboard/hpc_manager.py +++ b/dashboard/hpc_manager.py @@ -21,7 +21,7 @@ def execution_mode_items(): def _log_mode_change(state_key, description): if len(state.modified_keys) == 1: value = state[state_key] - label = EXECUTION_MODE_LABELS.get(value, value) + label = EXECUTION_MODE_LABELS.get(value) or value print(f"{description} execution mode changed to {label}") From fc2e2e90a2aae80183b1dda97964111db73a5cee Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Mon, 4 May 2026 15:01:29 -0700 Subject: [PATCH 24/58] Remove dead branch in simulation_async --- dashboard/parameters_manager.py | 6 ++---- 1 file changed, 2 insertions(+), 4 deletions(-) diff --git a/dashboard/parameters_manager.py b/dashboard/parameters_manager.py index e9af54de..2401c59f 100644 --- a/dashboard/parameters_manager.py +++ b/dashboard/parameters_manager.py @@ -121,13 +121,11 @@ async def simulation_async(self): state.simulation_running = True state.simulation_running_status = "Submitting" state.flush() - if state.simulation_running_mode == "sfapi": - result = await self.simulation_kernel() - else: + if state.simulation_running_mode != "sfapi": raise ValueError( f"Unsupported simulation mode: {state.simulation_running_mode}" ) - if result: + if await self.simulation_kernel(): state.simulation_running_time = datetime.now().strftime( "%Y-%m-%d %H:%M" ) From 65f9eab671a4bca94cbcc144aba65c9b76d6c31d Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Mon, 4 May 2026 15:04:07 -0700 Subject: [PATCH 25/58] execution_mode_items() recomputed on every render --- dashboard/hpc_manager.py | 13 +++++-------- 1 file changed, 5 insertions(+), 8 deletions(-) diff --git a/dashboard/hpc_manager.py b/dashboard/hpc_manager.py index 20bd6232..2b0aba38 100644 --- a/dashboard/hpc_manager.py +++ b/dashboard/hpc_manager.py @@ -10,12 +10,9 @@ "iriapi": "AmSC IRI API", "sfapi": "NERSC Superfacility API", } - - -def execution_mode_items(): - return [ - {"title": label, "value": mode} for mode, label in EXECUTION_MODE_LABELS.items() - ] +EXECUTION_MODE_ITEMS = [ + {"title": label, "value": mode} for mode, label in EXECUTION_MODE_LABELS.items() +] def _log_mode_change(state_key, description): @@ -47,7 +44,7 @@ def load_hpc_card(): vuetify.VSelect( v_model=("simulation_running_mode",), label="Simulations", - items=(execution_mode_items(),), + items=(EXECUTION_MODE_ITEMS,), dense=True, hide_details=True, ) @@ -55,7 +52,7 @@ def load_hpc_card(): vuetify.VSelect( v_model=("model_training_mode",), label="ML Training", - items=(execution_mode_items(),), + items=(EXECUTION_MODE_ITEMS,), dense=True, hide_details=True, ) From 8cf35d39ba130cbe3d90fef71b1993defaa3af75 Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Mon, 4 May 2026 15:08:44 -0700 Subject: [PATCH 26/58] Clean up code commented out in create_iriapi_client() --- dashboard/iriapi_manager.py | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/dashboard/iriapi_manager.py b/dashboard/iriapi_manager.py index 626023ba..918fa611 100644 --- a/dashboard/iriapi_manager.py +++ b/dashboard/iriapi_manager.py @@ -11,10 +11,10 @@ def create_iriapi_client(): - iriapi_key = (state.iriapi_key or "").strip() - if not iriapi_key: - raise ValueError("Missing AmSC IRI API token") - # Token registration is kept here for quick reactivation if needed. + # TODO Alternative authentication + # iriapi_key = (state.iriapi_key or "").strip() + # if not iriapi_key: + # raise ValueError("Missing AmSC IRI API token") # client = Client(token=iriapi_key) # client.register_facility( # "nersc", From fa63774efc135fd671da1617941206f5bb0a5153 Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Mon, 4 May 2026 15:14:26 -0700 Subject: [PATCH 27/58] Collapse code branches in parse_slurm_duration --- dashboard/model_manager.py | 23 ++++++++++------------- 1 file changed, 10 insertions(+), 13 deletions(-) diff --git a/dashboard/model_manager.py b/dashboard/model_manager.py index 5cb90cf5..c8bc7883 100644 --- a/dashboard/model_manager.py +++ b/dashboard/model_manager.py @@ -85,22 +85,19 @@ def parse_slurm_duration(duration): time_values = [int(v) for v in time_part.split(":")] n = len(time_values) - # Slurm treats ambiguous two-part durations differently with a day prefix. - if n == 3: - hours, minutes, secs = time_values - elif n == 2: - hours, minutes, secs = ( - (time_values[0], time_values[1], 0) - if has_days - else (0, time_values[0], time_values[1]) - ) + if n > 3: + raise ValueError(f"Unsupported Slurm duration format: {duration}") + + # Slurm treats ambiguous durations differently with a day prefix: + # D-H[:M[:S]], H:M:S, M:S, or M. + if has_days: + time_values += [0] * (3 - n) elif n == 1: - hours, minutes, secs = ( - (time_values[0], 0, 0) if has_days else (0, time_values[0], 0) - ) + time_values = [0, time_values[0], 0] else: - raise ValueError(f"Unsupported Slurm duration format: {duration}") + time_values = [0] * (3 - n) + time_values + hours, minutes, secs = time_values return days * 86400 + hours * 3600 + minutes * 60 + secs From beba799f53d2d88865911a99a8db9d0c199e5c05 Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Mon, 4 May 2026 15:53:22 -0700 Subject: [PATCH 28/58] Simplify parse_iri_training_launch_spec, fix training bug --- dashboard/model_manager.py | 211 ++++++++++++++++++++++++++++--------- 1 file changed, 161 insertions(+), 50 deletions(-) diff --git a/dashboard/model_manager.py b/dashboard/model_manager.py index c8bc7883..93d0282b 100644 --- a/dashboard/model_manager.py +++ b/dashboard/model_manager.py @@ -1,9 +1,10 @@ import asyncio +from copy import deepcopy from datetime import datetime import os import re import shlex -from pathlib import Path +from pathlib import Path, PurePosixPath import tempfile import mlflow @@ -47,6 +48,9 @@ } SBATCH_REQUIRED_SUBMIT_OPTIONS = set(SBATCH_SUBMIT_OPTION_MAP.values()) IRI_TRAINING_LAUNCH_PREFIX = ("srun", "podman-hpc", "run") # Container launch marker. +TRAINING_REMOTE_DIR = "/global/cfs/cdirs/m558/superfacility/model_training" +TRAINING_CONFIG_REMOTE_PATH = f"{TRAINING_REMOTE_DIR}/config.yaml" +TRAINING_CONFIG_CONTAINER_PATH = "/app/ml/config.yaml" IRI_SLURM_CUSTOM_ATTRIBUTE_MAP = { "constraint": "slurm.constraint", "gpus-per-node": "slurm.gpus-per-node", @@ -59,6 +63,20 @@ SHELL_ASSIGNMENT_RE = re.compile(r"^([A-Za-z_][A-Za-z0-9_]*)=(.+?)(?:\s+#.*)?$") +def line_starts_with_tokens(line, expected_tokens): + # Remove a trailing shell continuation so shlex can inspect the line prefix. + candidate = line.strip() + if candidate.endswith("\\"): + candidate = candidate[:-1].rstrip() + + try: + tokens = shlex.split(candidate, comments=True) + except ValueError: + return False + + return tuple(tokens[: len(expected_tokens)]) == expected_tokens + + def find_training_script_path(): # Multiple locations supported, to make development easier: # container (production): script is in cwd @@ -73,7 +91,7 @@ def find_training_script_path(): def parse_slurm_duration(duration): - # Normalize Slurm duration variants to the seconds expected by IRI. + # Normalize Slurm duration variants to the seconds expected by AmSC IRI API. days = 0 time_part = duration.strip() has_days = "-" in time_part @@ -102,7 +120,7 @@ def parse_slurm_duration(duration): def parse_sbatch_submit_options(script_path): - # Extract only SBATCH fields that map cleanly onto IRI submit options. + # Extract only SBATCH fields that map cleanly onto AmSC IRI API submit options. submit_options = {} with open(script_path) as script_file: for line in script_file: @@ -139,14 +157,14 @@ def parse_sbatch_submit_options(script_path): missing_list = ", ".join(sorted(missing_options)) raise ValueError(f"Missing required SBATCH option(s): {missing_list}") - # Convert values to the types expected by the IRI submit endpoint. + # Convert values to the types expected by the AmSC IRI API submit endpoint. submit_options["duration"] = parse_slurm_duration(submit_options["duration"]) submit_options["nodes"] = int(submit_options["nodes"]) return submit_options def build_iri_slurm_submit_options(sbatch_submit_options): - # IRI submits a PSI/J job spec. Slurm-specific options need the `slurm.` + # AmSC IRI API submits a PSI/J job spec. Slurm-specific options need the `slurm.` # custom-attribute prefix so they render as SBATCH directives. return { IRI_SLURM_CUSTOM_ATTRIBUTE_MAP.get(option, option): value @@ -154,6 +172,24 @@ def build_iri_slurm_submit_options(sbatch_submit_options): } +def build_remote_training_config_path(experiment, model_type): + timestamp = datetime.now().strftime("%Y%m%d-%H%M%S") + safe_experiment = re.sub(r"[^A-Za-z0-9_.-]+", "-", experiment).strip("-") + safe_model_type = re.sub(r"[^A-Za-z0-9_.-]+", "-", model_type).strip("-") + config_name = f"config-{safe_experiment}-{safe_model_type}-{timestamp}.yaml" + return f"{TRAINING_REMOTE_DIR}/{config_name}" + + +def replace_training_config_mount(command, remote_config_path): + default_mount = f"{TRAINING_CONFIG_REMOTE_PATH}:{TRAINING_CONFIG_CONTAINER_PATH}" + remote_mount = f"{remote_config_path}:{TRAINING_CONFIG_CONTAINER_PATH}" + if default_mount not in command: + raise ValueError( + "Could not find the training config bind mount in the launch command" + ) + return command.replace(default_mount, remote_mount, 1) + + def collapse_shell_command(lines): # Preserve trailing-backslash continuations before tokenizing with shlex. command_parts = [] @@ -206,7 +242,7 @@ def expand_iri_shell_command(command, model_type, variables): return expanded -def parse_iri_training_launch_spec(script_path, model_type): +def parse_iri_training_launch_spec(script_path, model_type, remote_config_path=None): # Split the batch script into setup lines and the podman-hpc launch command. pre_launch_lines = [] launch_lines = [] @@ -219,7 +255,7 @@ def parse_iri_training_launch_spec(script_path, model_type): if found_launch: launch_lines.append(line) - elif stripped.startswith(" ".join(IRI_TRAINING_LAUNCH_PREFIX)): + elif line_starts_with_tokens(stripped, IRI_TRAINING_LAUNCH_PREFIX): found_launch = True launch_lines.append(line) elif SCRIPT_MODEL_ARGUMENT_RE.match(stripped): @@ -232,21 +268,18 @@ def parse_iri_training_launch_spec(script_path, model_type): pre_launch_lines.append(line) if not launch_lines: - raise ValueError("Could not find the IRI training launch command") + raise ValueError("Could not find the AmSC IRI API training launch command") launch_command = collapse_shell_command(launch_lines) - launch_tokens = shlex.split(launch_command) variables = parse_shell_variable_assignments(pre_launch_lines) - # IRI submit expects launcher, executable, and arguments separately. `run` - # is a podman-hpc subcommand, not part of the executable path. - launch_prefix_length = len(IRI_TRAINING_LAUNCH_PREFIX) - if tuple(launch_tokens[:launch_prefix_length]) != IRI_TRAINING_LAUNCH_PREFIX: - raise ValueError("IRI training launch command does not match expected prefix") - - launcher = launch_tokens[0] + launcher = IRI_TRAINING_LAUNCH_PREFIX[0] executable = "/bin/bash" - shell_command = re.sub(r"^\s*srun\s+", "", launch_command, count=1) + shell_command = re.sub( + rf"^\s*{re.escape(launcher)}\s+", "", launch_command, count=1 + ) shell_command = expand_iri_shell_command(shell_command, model_type, variables) + if remote_config_path is not None: + shell_command = replace_training_config_mount(shell_command, remote_config_path) arguments = ["-lc", shell_command] return { @@ -419,22 +452,39 @@ def populate_inferred_calibration(self, input_variables, output_variables): # Notify Trame that the dict was modified in-place, so the UI updates state.dirty("simulation_calibration") - def _prepare_training_config(self, temp_dir): + def _prepare_training_config( + self, + temp_dir, + experiment, + experiment_date_range, + simulation_calibration, + ): """Prepare a training configuration file in the given temporary directory, updated with information from the dashboard. Returns the path to the written configuration file. """ - config_dict = load_config_dict(state.experiment) - config_dict["simulation_calibration"] = state.simulation_calibration - date_filter = create_date_filter(state.experiment_date_range) + config_dict = load_config_dict(experiment) + if config_dict.get("experiment") != experiment: + raise ValueError( + "Selected experiment does not match config file experiment: " + f"{experiment} != {config_dict.get('experiment')}" + ) + config_dict["simulation_calibration"] = simulation_calibration + date_filter = create_date_filter(experiment_date_range) config_dict["date_filter"] = date_filter config_path = Path(temp_dir) / "config.yaml" with open(config_path, "w") as f: yaml.dump(config_dict, f) return config_path - async def _training_kernel_sfapi(self): + async def _training_kernel_sfapi( + self, + experiment, + model_type, + experiment_date_range, + simulation_calibration, + ): try: # create an authenticated client async with AsyncClient( @@ -443,14 +493,24 @@ async def _training_kernel_sfapi(self): perlmutter = await client.compute(Machine.perlmutter) # upload the configuration file to NERSC with tempfile.TemporaryDirectory() as temp_dir: - config_path = self._prepare_training_config(temp_dir) - # define the target path on NERSC - target_path = "/global/cfs/cdirs/m558/superfacility/model_training" - [target_path] = await perlmutter.ls(target_path, directory=True) + config_path = self._prepare_training_config( + temp_dir, + experiment, + experiment_date_range, + simulation_calibration, + ) + remote_config_path = build_remote_training_config_path( + experiment, + model_type, + ) + [target_path] = await perlmutter.ls( + TRAINING_REMOTE_DIR, directory=True + ) with open(config_path, "rb") as temp_file: print("Uploading configuration file to NERSC...") - temp_file.filename = "config.yaml" + temp_file.filename = PurePosixPath(remote_config_path).name await target_path.upload(temp_file) + print(f"Uploaded configuration file to {remote_config_path}") # set the path of the script used to submit the training job on NERSC training_script_path = find_training_script_path() @@ -460,9 +520,12 @@ async def _training_kernel_sfapi(self): # replace the --model argument in the python command with the current model type from the state training_script = re.sub( pattern=r"--model \$\{model\}", - repl=rf"--model {model_type_dict[state.model_type_verbose]}", + repl=rf"--model {model_type}", string=training_script, ) + training_script = replace_training_config_mount( + training_script, remote_config_path + ) # submit the training job through the Superfacility API sfapi_job = await perlmutter.submit_job(training_script) @@ -480,7 +543,13 @@ async def _training_kernel_sfapi(self): state.flush() return False - async def _training_kernel_iriapi(self): + async def _training_kernel_iriapi( + self, + experiment, + model_type, + experiment_date_range, + simulation_calibration, + ): try: # Create an authenticated client client = create_iriapi_client() @@ -490,17 +559,18 @@ async def _training_kernel_iriapi(self): perlmutter = await asyncio.to_thread(nersc.resource, "compute") # Get the CFS resource for uploading files shared with compute jobs cfs = await asyncio.to_thread(nersc.resource, "cfs") - target_dir = "/global/cfs/cdirs/m558/superfacility/model_training" training_script_path = find_training_script_path() - model_type = model_type_dict[state.model_type_verbose] - # Reuse SBATCH directives so IRI submissions match the batch script. + remote_config_path = build_remote_training_config_path( + experiment, model_type + ) + # Reuse SBATCH directives so AmSC IRI API submissions match the batch script. sbatch_submit_options = parse_sbatch_submit_options(training_script_path) submit_options = build_iri_slurm_submit_options(sbatch_submit_options) launch_spec = parse_iri_training_launch_spec( - training_script_path, model_type + training_script_path, model_type, remote_config_path ) print( - "IRI training submit options: " + "AmSC IRI API training submit options: " f"account={submit_options['account']}, " f"qos={submit_options['slurm.qos']}, " f"constraint={submit_options['slurm.constraint']}, " @@ -510,19 +580,32 @@ async def _training_kernel_iriapi(self): # Training script is parsed locally; only config.yaml is uploaded. with tempfile.TemporaryDirectory() as temp_dir: - config_path = self._prepare_training_config(temp_dir) + config_path = self._prepare_training_config( + temp_dir, + experiment, + experiment_date_range, + simulation_calibration, + ) print("Uploading configuration file to NERSC...") upload_task = await asyncio.to_thread( cfs.fs.upload, config_path, - f"{target_dir}/config.yaml", + remote_config_path, + file_name=PurePosixPath(remote_config_path).name, ) - await asyncio.to_thread(upload_task.wait) + upload_task = await asyncio.to_thread(upload_task.wait) + if upload_task.state != "completed": + raise RuntimeError( + "Uploading configuration file to NERSC failed " + f"(task {upload_task.id} ended with state " + f"{upload_task.state})" + ) + print(f"Uploaded training configuration to {remote_config_path}") # Submit the training job through the AmSC IRI API iriapi_job = await asyncio.to_thread( perlmutter.submit, - directory=target_dir, + directory=TRAINING_REMOTE_DIR, **submit_options, **launch_spec, ) @@ -541,14 +624,24 @@ async def _training_kernel_iriapi(self): state.flush() return False - async def _training_kernel_local(self): + async def _training_kernel_local( + self, + experiment, + model_type, + experiment_date_range, + simulation_calibration, + ): try: ml_dir = (Path(__file__).parent / "../ml").resolve() train_model_path = ml_dir / "train_model.py" - model_type = model_type_dict[state.model_type_verbose] with tempfile.TemporaryDirectory() as temp_dir: - config_path = self._prepare_training_config(temp_dir) + config_path = self._prepare_training_config( + temp_dir, + experiment, + experiment_date_range, + simulation_calibration, + ) state.model_training_status = "Running" state.flush() print( @@ -598,19 +691,37 @@ async def _training_kernel_local(self): async def training_async(self): try: print("Training model...") + experiment = state.experiment + model_type = model_type_dict[state.model_type_verbose] + training_mode = state.model_training_mode + experiment_date_range = list(state.experiment_date_range or []) + simulation_calibration = deepcopy(state.simulation_calibration) state.model_training = True state.model_training_status = "Submitting" state.flush() - if state.model_training_mode == "local": - result = await self._training_kernel_local() - elif state.model_training_mode == "sfapi": - result = await self._training_kernel_sfapi() - elif state.model_training_mode == "iriapi": - result = await self._training_kernel_iriapi() - else: - raise ValueError( - f"Unsupported training mode: {state.model_training_mode}" + if training_mode == "local": + result = await self._training_kernel_local( + experiment, + model_type, + experiment_date_range, + simulation_calibration, + ) + elif training_mode == "sfapi": + result = await self._training_kernel_sfapi( + experiment, + model_type, + experiment_date_range, + simulation_calibration, ) + elif training_mode == "iriapi": + result = await self._training_kernel_iriapi( + experiment, + model_type, + experiment_date_range, + simulation_calibration, + ) + else: + raise ValueError(f"Unsupported training mode: {training_mode}") if result: state.model_training_time = datetime.now().strftime("%Y-%m-%d %H:%M") state.flush() From 7ac87bdb34552c31a158f431ddb9e84155262333 Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Mon, 4 May 2026 16:01:38 -0700 Subject: [PATCH 29/58] Explain convergence loop in expand_iri_shell_command --- dashboard/model_manager.py | 1 + 1 file changed, 1 insertion(+) diff --git a/dashboard/model_manager.py b/dashboard/model_manager.py index 93d0282b..b27c4f94 100644 --- a/dashboard/model_manager.py +++ b/dashboard/model_manager.py @@ -232,6 +232,7 @@ def expand_iri_shell_command(command, model_type, variables): # variables like $HOME for the remote login shell on Perlmutter. expanded = command replacements = {**variables, "model": model_type} + # Repeat so static assignment chains like IMAGE=${REGISTRY}/${NAME} resolve. for _ in replacements: previous = expanded for name, value in replacements.items(): From d92e8f7c43305e202cbc2f89fa125dc3dc57f16b Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Mon, 4 May 2026 17:20:23 -0700 Subject: [PATCH 30/58] Install amsc-client from local source --- dashboard/environment.yml | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/dashboard/environment.yml b/dashboard/environment.yml index 72b057a5..5316a315 100644 --- a/dashboard/environment.yml +++ b/dashboard/environment.yml @@ -6,7 +6,6 @@ channels: - nodefaults pip-repositories: - - https://gitlab.com/api/v4/projects/77567162/packages/pypi/simple - https://gitlab.com/api/v4/projects/76368190/packages/pypi/simple - https://gitlab.com/api/v4/projects/80654726/packages/pypi/simple @@ -30,4 +29,4 @@ dependencies: - trame-vuetify - pip: - sfapi_client - - amsc-client + - "amsc-client @ file:///home/edoardo/src/amsc-python-client" From 28236cd8b626c382fa26898cc6798b84329b401d Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Mon, 4 May 2026 17:20:43 -0700 Subject: [PATCH 31/58] Add new conda environment lock file --- dashboard/environment-lock.yml | 2099 +++++++++++++++++--------------- 1 file changed, 1116 insertions(+), 983 deletions(-) diff --git a/dashboard/environment-lock.yml b/dashboard/environment-lock.yml index 8d95a47e..38621d76 100644 --- a/dashboard/environment-lock.yml +++ b/dashboard/environment-lock.yml @@ -13,10 +13,10 @@ version: 1 metadata: content_hash: - linux-64: 0759f6c24d976444ac929179d4adb90feb470b18cabf61eb73088b653f44fb1d - 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name: aws-c-io @@ -932,10 +932,10 @@ package: __osx: '>=11.0' aws-c-cal: '>=0.9.13,<0.9.14.0a0' aws-c-common: '>=0.12.6,<0.12.7.0a0' - url: https://conda.anaconda.org/conda-forge/osx-64/aws-c-io-0.26.3-hc95b61d_0.conda + url: https://conda.anaconda.org/conda-forge/osx-64/aws-c-io-0.26.3-hc95b61d_1.conda hash: - md5: 6db10338a49d5ed2bb4aa1099660a7b9 - sha256: 666c24912c4fcc33f87f232f0154e784c44e953c718a90d37ee660b56735d693 + md5: 4cd93c3ac6c84c38a161a48f3e441c72 + sha256: 64c2b423b8a86944e69b073b6136d15246659b6b791fbb58e1b5a9ceb1e55573 category: main optional: false - name: aws-c-io @@ -946,10 +946,10 @@ package: __osx: '>=11.0' aws-c-cal: '>=0.9.13,<0.9.14.0a0' aws-c-common: '>=0.12.6,<0.12.7.0a0' - url: https://conda.anaconda.org/conda-forge/osx-arm64/aws-c-io-0.26.3-h4137820_0.conda + url: https://conda.anaconda.org/conda-forge/osx-arm64/aws-c-io-0.26.3-h4137820_1.conda hash: - md5: 730d1cbd0973bd7ac150e181d3b572f3 - sha256: 0e6ba2c8f250f466b9d671d3970e1f7c149c925b79c10fa7778708192a2a7833 + md5: af3d15f053619ca43ea0943de01d368b + sha256: e03ce71af986541d79fae88f7636d7a252b215d4560b47f005050dc9e1dc3c11 category: main optional: false - name: aws-c-io @@ -962,10 +962,10 @@ package: ucrt: '>=10.0.20348.0' vc: '>=14.3,<15' vc14_runtime: '>=14.44.35208' - url: https://conda.anaconda.org/conda-forge/win-64/aws-c-io-0.26.3-h0d5b9f9_0.conda + url: https://conda.anaconda.org/conda-forge/win-64/aws-c-io-0.26.3-h0d5b9f9_1.conda hash: - md5: ce36c60ed6b15c8dbb7ccddec4ebf57f - sha256: 3c9d50fb7895df4edd72d177299551608c24d8b0b82db0cf34c8e2bf6644979c + md5: d6091ef6857cee4f541716790de07b48 + sha256: 77a9e9cbbea1ed76d02605955a8cf098d3793a8dc871b31b4617a8054f151639 category: main optional: false - name: aws-c-mqtt @@ -1697,7 +1697,7 @@ package: category: main optional: false - name: backports.zstd - version: 1.3.0 + version: 1.4.0 manager: conda platform: linux-64 dependencies: @@ -1706,44 +1706,44 @@ package: python: '' python_abi: 3.11.* zstd: '>=1.5.7,<1.6.0a0' - url: https://conda.anaconda.org/conda-forge/linux-64/backports.zstd-1.3.0-py311h6b1f9c4_0.conda + url: https://conda.anaconda.org/conda-forge/linux-64/backports.zstd-1.4.0-py311h6b1f9c4_0.conda hash: - 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name: sfapi-client version: 0.4.1 manager: pip From 1dbeae1291e8ee3046956d1df2f46ff73ac75416 Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Mon, 4 May 2026 17:47:31 -0700 Subject: [PATCH 32/58] Debugging dashboard Dockerfile update --- dashboard.Dockerfile | 5 +++++ dashboard/README.md | 5 ++++- publish_container.py | 15 ++++++++++++++- 3 files changed, 23 insertions(+), 2 deletions(-) diff --git a/dashboard.Dockerfile b/dashboard.Dockerfile index 52bcb1b3..6d644b6b 100644 --- a/dashboard.Dockerfile +++ b/dashboard.Dockerfile @@ -9,6 +9,11 @@ ENV PIP_ROOT_USER_ACTION=ignore # Install any needed packages specified in the environment file COPY dashboard/environment-lock.yml /app/dashboard/environment-lock.yml + +# The lock file installs amsc-client from this local source URL. Pass it with: +# --build-context amsc-client-src=/path/to/amsc-python-client +COPY --from=amsc-client-src / /home/edoardo/src/amsc-python-client + RUN conda install -c conda-forge conda-lock \ && conda-lock install --name synapse-gui environment-lock.yml \ && conda clean --all -y diff --git a/dashboard/README.md b/dashboard/README.md index 870bb169..c045c161 100644 --- a/dashboard/README.md +++ b/dashboard/README.md @@ -155,6 +155,8 @@ Following the instructions at [docs.nersc.gov/services/sfapi/authentication/#cli > ```bash > python publish_container.py --gui > ``` +> By default this expects the locally patched `amsc-python-client` checkout at `../amsc-python-client`. +> If it lives elsewhere, set `AMSC_CLIENT_SRC=/path/to/amsc-python-client`. > [!TIP] > Prune old, unused images periodically in order to free up space on your machine: @@ -168,7 +170,8 @@ Following the instructions at [docs.nersc.gov/services/sfapi/authentication/#cli 2. Build the Docker image: ```bash - docker build --platform linux/amd64 --output type=image,oci-mediatypes=true -t synapse-gui -f dashboard.Dockerfile . + docker build --platform linux/amd64 --output type=image,oci-mediatypes=true -t synapse-gui -f dashboard.Dockerfile \ + --build-context amsc-client-src="${AMSC_CLIENT_SRC:-../amsc-python-client}" . ``` ### Push the Docker container diff --git a/publish_container.py b/publish_container.py index 583a8f08..f47a356e 100755 --- a/publish_container.py +++ b/publish_container.py @@ -6,7 +6,11 @@ """ import argparse +import os import subprocess +from pathlib import Path + +DEFAULT_AMSC_CLIENT_SRC = Path(__file__).resolve().parent.parent / "amsc-python-client" def run(command: str, proceed: str, auto_yes: bool): @@ -37,9 +41,18 @@ def build_container(container: str, auto_yes: bool): "ml": "synapse-ml", } + extra = "" + if container == "gui": + src = ( + Path(os.environ.get("AMSC_CLIENT_SRC", DEFAULT_AMSC_CLIENT_SRC)) + .expanduser() + .resolve() + ) + extra = f" --build-context amsc-client-src={src}" + # build the new image proceed = "y" if auto_yes else input(f"\nBuild new {container} image? [y/N] ") - command = f"docker build --platform linux/amd64 --output type=image,oci-mediatypes=true -t {imagename[container]} -f {folders[container]}.Dockerfile ." + command = f"docker build --platform linux/amd64 --output type=image,oci-mediatypes=true -t {imagename[container]} -f {folders[container]}.Dockerfile{extra} ." run(command, proceed, auto_yes) # upload to the NERSC registry From d84dcfa56b655878ad80acc9cc848cc66aff625d Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Tue, 5 May 2026 11:14:26 -0700 Subject: [PATCH 33/58] Layout, style changes --- dashboard/app.py | 2 +- dashboard/execution_mode_manager.py | 29 ++++++++++++++++ dashboard/hpc_manager.py | 50 ---------------------------- dashboard/model_manager.py | 15 +++++++++ dashboard/parameters_manager.py | 51 ++++++++++++++++++----------- 5 files changed, 77 insertions(+), 70 deletions(-) create mode 100644 dashboard/execution_mode_manager.py diff --git a/dashboard/app.py b/dashboard/app.py index 62560153..684598ec 100644 --- a/dashboard/app.py +++ b/dashboard/app.py @@ -363,7 +363,7 @@ def hpc_route(): with RouterViewLayout(server, "/hpc"): with vuetify.VRow(): with vuetify.VCol(cols=12): - # Render the backend selector and both API credential cards. + # Render both API credential cards. with vuetify.VRow(): with vuetify.VCol(): load_hpc_card() diff --git a/dashboard/execution_mode_manager.py b/dashboard/execution_mode_manager.py new file mode 100644 index 00000000..5e1e0da3 --- /dev/null +++ b/dashboard/execution_mode_manager.py @@ -0,0 +1,29 @@ +from state_manager import state + + +# Mapping from internal execution mode values to display labels +EXECUTION_MODE_LABELS = { + "local": "Local", + "iriapi": "AmSC IRI API", + "sfapi": "NERSC Superfacility API", +} +EXECUTION_MODE_ITEMS = [ + {"title": label, "value": mode} for mode, label in EXECUTION_MODE_LABELS.items() +] + + +def _log_mode_change(state_key, description): + if len(state.modified_keys) == 1: + value = state[state_key] + label = EXECUTION_MODE_LABELS.get(value) or value + print(f"{description} execution mode changed to {label}") + + +@state.change("simulation_running_mode") +def log_simulation_running_mode(**kwargs): + _log_mode_change("simulation_running_mode", "Simulation") + + +@state.change("model_training_mode") +def log_model_training_mode(**kwargs): + _log_mode_change("model_training_mode", "ML training") diff --git a/dashboard/hpc_manager.py b/dashboard/hpc_manager.py index 2b0aba38..ad1b3113 100644 --- a/dashboard/hpc_manager.py +++ b/dashboard/hpc_manager.py @@ -2,60 +2,10 @@ from iriapi_manager import load_iriapi_card from sfapi_manager import load_sfapi_card -from state_manager import state - -# Mapping from internal execution mode values to display labels -EXECUTION_MODE_LABELS = { - "local": "Local", - "iriapi": "AmSC IRI API", - "sfapi": "NERSC Superfacility API", -} -EXECUTION_MODE_ITEMS = [ - {"title": label, "value": mode} for mode, label in EXECUTION_MODE_LABELS.items() -] - - -def _log_mode_change(state_key, description): - if len(state.modified_keys) == 1: - value = state[state_key] - label = EXECUTION_MODE_LABELS.get(value) or value - print(f"{description} execution mode changed to {label}") - - -@state.change("simulation_running_mode") -def log_simulation_running_mode(**kwargs): - _log_mode_change("simulation_running_mode", "Simulation") - - -@state.change("model_training_mode") -def log_model_training_mode(**kwargs): - _log_mode_change("model_training_mode", "ML training") def load_hpc_card(): print("Setting HPC card...") - with vuetify.VRow(): - with vuetify.VCol(cols=12): - with vuetify.VCard(): - vuetify.VCardTitle("Execution Mode") - with vuetify.VCardText(): - with vuetify.VRow(): - with vuetify.VCol(cols=12, md=6): - vuetify.VSelect( - v_model=("simulation_running_mode",), - label="Simulations", - items=(EXECUTION_MODE_ITEMS,), - dense=True, - hide_details=True, - ) - with vuetify.VCol(cols=12, md=6): - vuetify.VSelect( - v_model=("model_training_mode",), - label="ML Training", - items=(EXECUTION_MODE_ITEMS,), - dense=True, - hide_details=True, - ) with vuetify.VRow(): with vuetify.VCol(cols=12, md=6): with vuetify.VCard(): diff --git a/dashboard/model_manager.py b/dashboard/model_manager.py index b27c4f94..d61c6170 100644 --- a/dashboard/model_manager.py +++ b/dashboard/model_manager.py @@ -14,6 +14,7 @@ from trame.widgets import vuetify3 as vuetify from utils import timer, load_config_dict, create_date_filter from calibration_manager import build_inferred_calibration +from execution_mode_manager import EXECUTION_MODE_ITEMS from error_manager import add_error from sfapi_manager import monitor_sfapi_job from iriapi_manager import create_iriapi_client, monitor_iriapi_job @@ -762,6 +763,15 @@ def panel(self): style="font-size: 20px; font-weight: 500;", ): with vuetify.VExpansionPanelText(): + with vuetify.VRow(): + with vuetify.VCol(): + vuetify.VSelect( + v_model=("model_training_mode",), + label="Training Backend", + items=(EXECUTION_MODE_ITEMS,), + dense=True, + hide_details=True, + ) with vuetify.VRow(): with vuetify.VCol(): vuetify.VSelect( @@ -769,17 +779,22 @@ def panel(self): label="Model type", items=(model_type_list,), dense=True, + hide_details=True, ) + with vuetify.VRow(): with vuetify.VCol(): vuetify.VTextField( v_model_number=("model_training_status",), label="Training status", readonly=True, + dense=True, + hide_details=True, ) with vuetify.VRow(): with vuetify.VCol(): vuetify.VBtn( "Train", + block=True, click=self.training_trigger, disabled=( "model_training || (model_training_mode === 'sfapi' && sfapi_perlmutter_status !== 'active')", diff --git a/dashboard/parameters_manager.py b/dashboard/parameters_manager.py index 2401c59f..20cedc10 100644 --- a/dashboard/parameters_manager.py +++ b/dashboard/parameters_manager.py @@ -9,6 +9,7 @@ from trame.widgets import client, vuetify3 as vuetify from utils import load_variables from calibration_manager import SimulationCalibrationManager +from execution_mode_manager import EXECUTION_MODE_ITEMS from error_manager import add_error from sfapi_manager import monitor_sfapi_job from state_manager import state, EXPERIMENTS_PATH @@ -234,27 +235,39 @@ def panel(self): change="flushState('parameters_show_all')", label="Show all", ) - with vuetify.VRow(align="center"): - with vuetify.VCol(cols=6): - with vuetify.VRow(): - with vuetify.VCol(): - vuetify.VBtn( - "Reset", - click=self.reset, - style="text-transform: none", - ) - with vuetify.VCol(): - vuetify.VBtn( - "Simulate", - click=self.simulation_trigger, - disabled=( - "simulation_running || !simulatable || simulation_running_mode !== 'sfapi' || sfapi_perlmutter_status !== 'active'", - ), - style="text-transform: none;", - ) - with vuetify.VCol(cols=6): + with vuetify.VRow(): + with vuetify.VCol(): + vuetify.VSelect( + v_model=("simulation_running_mode",), + label="Simulations Backend", + items=(EXECUTION_MODE_ITEMS,), + dense=True, + hide_details=True, + ) + with vuetify.VRow(): + with vuetify.VCol(): vuetify.VTextField( v_model_number=("simulation_running_status",), label="Simulation status", readonly=True, + dense=True, + hide_details=True, + ) + with vuetify.VRow(align="center"): + with vuetify.VCol(cols=6): + vuetify.VBtn( + "Reset", + block=True, + click=self.reset, + style="text-transform: none", + ) + with vuetify.VCol(cols=6): + vuetify.VBtn( + "Simulate", + block=True, + click=self.simulation_trigger, + disabled=( + "simulation_running || !simulatable || simulation_running_mode !== 'sfapi' || sfapi_perlmutter_status !== 'active'", + ), + style="text-transform: none;", ) From 6706b1055e3fe79bbcb62571489fa63455044c91 Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Tue, 5 May 2026 13:09:31 -0700 Subject: [PATCH 34/58] Do not parse AmSC IRI API access token from environment --- dashboard/environment-lock.yml | 18442 ---------------------------- dashboard/environment.yml | 2 +- dashboard/iriapi_manager.py | 29 +- dashboard/model_manager.py | 5 +- dashboard/optimization_manager.py | 4 + 5 files changed, 9 insertions(+), 18473 deletions(-) delete mode 100644 dashboard/environment-lock.yml diff --git a/dashboard/environment-lock.yml b/dashboard/environment-lock.yml deleted file mode 100644 index 38621d76..00000000 --- a/dashboard/environment-lock.yml +++ /dev/null @@ -1,18442 +0,0 @@ -# This lock file was generated by conda-lock (https://github.com/conda/conda-lock). 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trame-vuetify - pip: - sfapi_client - - "amsc-client @ file:///home/edoardo/src/amsc-python-client" + - "amsc-client[globus] @ file:///home/edoardo/src/amsc-python-client" diff --git a/dashboard/iriapi_manager.py b/dashboard/iriapi_manager.py index 918fa611..d83b57e8 100644 --- a/dashboard/iriapi_manager.py +++ b/dashboard/iriapi_manager.py @@ -1,5 +1,4 @@ import asyncio -import os from amsc_client import Client from trame.widgets import vuetify3 as vuetify @@ -7,24 +6,6 @@ from error_manager import add_error from state_manager import state -IRI_ACCESS_TOKEN_ENV = "IRI_ACCESS_TOKEN" - - -def create_iriapi_client(): - # TODO Alternative authentication - # iriapi_key = (state.iriapi_key or "").strip() - # if not iriapi_key: - # raise ValueError("Missing AmSC IRI API token") - # client = Client(token=iriapi_key) - # client.register_facility( - # "nersc", - # auth_method="token", - # token=iriapi_key, - # ) - # Use Globus auth while token-based facility registration is disabled. - client = Client(auth_method="globus") - return client - async def monitor_iriapi_job(iriapi_job, state_variable): while not iriapi_job.is_terminal: @@ -44,7 +25,7 @@ def update_iriapi_info(): print("Updating AmSC IRI API info...") try: # Create an authenticated client - client = create_iriapi_client() + client = Client(auth_method="globus") # Ping Perlmutter so the UI reflects the current IRI resource status. nersc = client.facility("nersc") perlmutter = nersc.resource("compute") @@ -80,14 +61,6 @@ def load_iriapi_credentials(**kwargs): def load_iriapi_card(): print("Setting AmSC IRI API card...") - # Prefer an environment-provided token when running in deployed contexts. - iri_access_token = os.environ.get(IRI_ACCESS_TOKEN_ENV, "").strip() - if iri_access_token: - print("Loading AmSC IRI API credentials from environment...") - state.iriapi_key = iri_access_token - update_iriapi_info() - elif IRI_ACCESS_TOKEN_ENV in os.environ: - print(f"{IRI_ACCESS_TOKEN_ENV} is set but empty; waiting for token upload.") # Row with component to upload input file with top padding with vuetify.VRow(style="padding-top: 20px;"): with vuetify.VCol(): diff --git a/dashboard/model_manager.py b/dashboard/model_manager.py index d61c6170..26ba6653 100644 --- a/dashboard/model_manager.py +++ b/dashboard/model_manager.py @@ -9,6 +9,7 @@ import mlflow import yaml +from amsc_client import Client from sfapi_client import AsyncClient from sfapi_client.compute import Machine from trame.widgets import vuetify3 as vuetify @@ -17,7 +18,7 @@ from execution_mode_manager import EXECUTION_MODE_ITEMS from error_manager import add_error from sfapi_manager import monitor_sfapi_job -from iriapi_manager import create_iriapi_client, monitor_iriapi_job +from iriapi_manager import monitor_iriapi_job from state_manager import state model_type_dict = { @@ -554,7 +555,7 @@ async def _training_kernel_iriapi( ): try: # Create an authenticated client - client = create_iriapi_client() + client = Client(auth_method="globus") # Connect to NERSC nersc = await asyncio.to_thread(client.facility, "nersc") # Get the compute resource (Perlmutter) diff --git a/dashboard/optimization_manager.py b/dashboard/optimization_manager.py index 237c4ae2..70c88969 100644 --- a/dashboard/optimization_manager.py +++ b/dashboard/optimization_manager.py @@ -87,18 +87,22 @@ def panel(self): label="Optimization target", items=(state.output_variables,), dense=True, + hide_details=True, ) + with vuetify.VRow(): with vuetify.VCol(): vuetify.VSelect( v_model=("optimization_type",), label="Optimization type", items=(optimization_type_list,), dense=True, + hide_details=True, ) with vuetify.VRow(): with vuetify.VCol(): vuetify.VBtn( "Optimize", + block=True, click=self.optimize_trigger, style="text-transform: none", ) From a50ba46e6ea53598bbd227fa6e51edb82082ffc7 Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Tue, 5 May 2026 13:42:25 -0700 Subject: [PATCH 35/58] Clean up inline comments --- dashboard/app.py | 2 +- dashboard/error_manager.py | 4 ++-- dashboard/iriapi_manager.py | 4 ++-- dashboard/model_manager.py | 34 +++++++++++++++++----------------- dashboard/utils.py | 2 +- 5 files changed, 23 insertions(+), 23 deletions(-) diff --git a/dashboard/app.py b/dashboard/app.py index 684598ec..1b439ef2 100644 --- a/dashboard/app.py +++ b/dashboard/app.py @@ -363,7 +363,7 @@ def hpc_route(): with RouterViewLayout(server, "/hpc"): with vuetify.VRow(): with vuetify.VCol(cols=12): - # Render both API credential cards. + # Render both API credential cards with vuetify.VRow(): with vuetify.VCol(): load_hpc_card() diff --git a/dashboard/error_manager.py b/dashboard/error_manager.py index e59d5aaa..140d6b14 100644 --- a/dashboard/error_manager.py +++ b/dashboard/error_manager.py @@ -5,9 +5,9 @@ def add_error(title, msg): if state.errors is None: # Outside of a Trame app (e.g. check_model.py), raise a Python error - # to surface the error to the caller. + # to surface the error to the caller raise RuntimeError(f"{title}: {msg}") - # Otherwise: Inside a Trame app, add the error to the state. + # Otherwise: Inside a Trame app, add the error to the state state.errors.append( { "id": state.error_counter, diff --git a/dashboard/iriapi_manager.py b/dashboard/iriapi_manager.py index d83b57e8..11fcd885 100644 --- a/dashboard/iriapi_manager.py +++ b/dashboard/iriapi_manager.py @@ -10,9 +10,9 @@ async def monitor_iriapi_job(iriapi_job, state_variable): while not iriapi_job.is_terminal: await asyncio.sleep(5) - # Refresh in a worker thread because the IRI client call is synchronous. + # Refresh in a worker thread because the IRI client call is synchronous await asyncio.to_thread(iriapi_job.refresh) - # Make the status more readable by putting in spaces and capitalizing the words. + # Make the status more readable by putting in spaces and capitalizing the words job_status = iriapi_job.state.replace("_", " ").title() if state[state_variable] != job_status: state[state_variable] = job_status diff --git a/dashboard/model_manager.py b/dashboard/model_manager.py index 26ba6653..0f3603f4 100644 --- a/dashboard/model_manager.py +++ b/dashboard/model_manager.py @@ -49,7 +49,7 @@ "--ntasks-per-node": "ntasks-per-node", } SBATCH_REQUIRED_SUBMIT_OPTIONS = set(SBATCH_SUBMIT_OPTION_MAP.values()) -IRI_TRAINING_LAUNCH_PREFIX = ("srun", "podman-hpc", "run") # Container launch marker. +IRI_TRAINING_LAUNCH_PREFIX = ("srun", "podman-hpc", "run") # Container launch marker TRAINING_REMOTE_DIR = "/global/cfs/cdirs/m558/superfacility/model_training" TRAINING_CONFIG_REMOTE_PATH = f"{TRAINING_REMOTE_DIR}/config.yaml" TRAINING_CONFIG_CONTAINER_PATH = "/app/ml/config.yaml" @@ -59,14 +59,14 @@ "ntasks-per-node": "slurm.ntasks-per-node", "queue": "slurm.qos", } -# Match model=$1 or model=${1}, with optional comment. +# Match model=$1 or model=${1}, with optional comment SCRIPT_MODEL_ARGUMENT_RE = re.compile(r"^model=\$\{?1\}?\s*(#.*)?$") -# Capture shell assignments like REGISTRY_NAME=value, ignoring trailing comments. +# Capture shell assignments like REGISTRY_NAME=value, ignoring trailing comments SHELL_ASSIGNMENT_RE = re.compile(r"^([A-Za-z_][A-Za-z0-9_]*)=(.+?)(?:\s+#.*)?$") def line_starts_with_tokens(line, expected_tokens): - # Remove a trailing shell continuation so shlex can inspect the line prefix. + # Remove a trailing shell continuation so shlex can inspect the line prefix candidate = line.strip() if candidate.endswith("\\"): candidate = candidate[:-1].rstrip() @@ -93,7 +93,7 @@ def find_training_script_path(): def parse_slurm_duration(duration): - # Normalize Slurm duration variants to the seconds expected by AmSC IRI API. + # Normalize Slurm duration variants to the seconds expected by AmSC IRI API days = 0 time_part = duration.strip() has_days = "-" in time_part @@ -109,7 +109,7 @@ def parse_slurm_duration(duration): raise ValueError(f"Unsupported Slurm duration format: {duration}") # Slurm treats ambiguous durations differently with a day prefix: - # D-H[:M[:S]], H:M:S, M:S, or M. + # D-H[:M[:S]], H:M:S, M:S, or M if has_days: time_values += [0] * (3 - n) elif n == 1: @@ -122,7 +122,7 @@ def parse_slurm_duration(duration): def parse_sbatch_submit_options(script_path): - # Extract only SBATCH fields that map cleanly onto AmSC IRI API submit options. + # Extract only SBATCH fields that map cleanly onto AmSC IRI API submit options submit_options = {} with open(script_path) as script_file: for line in script_file: @@ -134,7 +134,7 @@ def parse_sbatch_submit_options(script_path): if not directive: continue - # Use shell parsing so quoted SBATCH values are handled correctly. + # Use shell parsing so quoted SBATCH values are handled correctly tokens = shlex.split(directive, comments=True) if not tokens: continue @@ -159,7 +159,7 @@ def parse_sbatch_submit_options(script_path): missing_list = ", ".join(sorted(missing_options)) raise ValueError(f"Missing required SBATCH option(s): {missing_list}") - # Convert values to the types expected by the AmSC IRI API submit endpoint. + # Convert values to the types expected by the AmSC IRI API submit endpoint submit_options["duration"] = parse_slurm_duration(submit_options["duration"]) submit_options["nodes"] = int(submit_options["nodes"]) return submit_options @@ -167,7 +167,7 @@ def parse_sbatch_submit_options(script_path): def build_iri_slurm_submit_options(sbatch_submit_options): # AmSC IRI API submits a PSI/J job spec. Slurm-specific options need the `slurm.` - # custom-attribute prefix so they render as SBATCH directives. + # custom-attribute prefix so they render as SBATCH directives return { IRI_SLURM_CUSTOM_ATTRIBUTE_MAP.get(option, option): value for option, value in sbatch_submit_options.items() @@ -193,7 +193,7 @@ def replace_training_config_mount(command, remote_config_path): def collapse_shell_command(lines): - # Preserve trailing-backslash continuations before tokenizing with shlex. + # Preserve trailing-backslash continuations before tokenizing with shlex command_parts = [] current_command = "" for line in lines: @@ -211,7 +211,7 @@ def collapse_shell_command(lines): def parse_shell_variable_assignments(lines): - # Keep static shell assignments that can be expanded without execution. + # Keep static shell assignments that can be expanded without execution variables = {} for line in lines: match = SHELL_ASSIGNMENT_RE.match(line.strip()) @@ -231,10 +231,10 @@ def parse_shell_variable_assignments(lines): def expand_iri_shell_command(command, model_type, variables): # Expand values we can resolve locally while preserving runtime shell - # variables like $HOME for the remote login shell on Perlmutter. + # variables like $HOME for the remote login shell on Perlmutter expanded = command replacements = {**variables, "model": model_type} - # Repeat so static assignment chains like IMAGE=${REGISTRY}/${NAME} resolve. + # Repeat so static assignment chains like IMAGE=${REGISTRY}/${NAME} resolve for _ in replacements: previous = expanded for name, value in replacements.items(): @@ -246,7 +246,7 @@ def expand_iri_shell_command(command, model_type, variables): def parse_iri_training_launch_spec(script_path, model_type, remote_config_path=None): - # Split the batch script into setup lines and the podman-hpc launch command. + # Split the batch script into setup lines and the podman-hpc launch command pre_launch_lines = [] launch_lines = [] found_launch = False @@ -566,7 +566,7 @@ async def _training_kernel_iriapi( remote_config_path = build_remote_training_config_path( experiment, model_type ) - # Reuse SBATCH directives so AmSC IRI API submissions match the batch script. + # Reuse SBATCH directives so AmSC IRI API submissions match the batch script sbatch_submit_options = parse_sbatch_submit_options(training_script_path) submit_options = build_iri_slurm_submit_options(sbatch_submit_options) launch_spec = parse_iri_training_launch_spec( @@ -581,7 +581,7 @@ async def _training_kernel_iriapi( f"duration={submit_options['duration']}" ) - # Training script is parsed locally; only config.yaml is uploaded. + # Training script is parsed locally; only config.yaml is uploaded with tempfile.TemporaryDirectory() as temp_dir: config_path = self._prepare_training_config( temp_dir, diff --git a/dashboard/utils.py b/dashboard/utils.py index ba9971f6..2854c45b 100644 --- a/dashboard/utils.py +++ b/dashboard/utils.py @@ -387,7 +387,7 @@ def hover_section(title, cols, hover_data): col=this_col, ) - # A bit of padding on either end of the y range so we can see all the data. + # A bit of padding on either end of the y range so we can see all the data padding = 0.05 * (global_ymax - global_ymin) for i, key in enumerate(parameters.keys()): this_row = i + 1 From 198e108a95ad118331eae5eb54b6a85f6a0e31f4 Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Tue, 5 May 2026 13:47:10 -0700 Subject: [PATCH 36/58] Parse AmSC IRI API credentials from JSON file --- dashboard/iriapi_manager.py | 97 +++++++++++++++++++++++++++++++------ 1 file changed, 81 insertions(+), 16 deletions(-) diff --git a/dashboard/iriapi_manager.py b/dashboard/iriapi_manager.py index 11fcd885..e7851ced 100644 --- a/dashboard/iriapi_manager.py +++ b/dashboard/iriapi_manager.py @@ -1,4 +1,6 @@ import asyncio +import json +from datetime import datetime, timezone from amsc_client import Client from trame.widgets import vuetify3 as vuetify @@ -7,6 +9,39 @@ from state_manager import state +def parse_iriapi_credentials(): + content = state.iriapi_key_dict["content"] + if isinstance(content, dict): + credentials = content + else: + if isinstance(content, (bytes, bytearray)): + content = bytes(content).decode("utf-8") + credentials = json.loads(content) + + if not isinstance(credentials, dict) or len(credentials) != 1: + raise ValueError( + "Uploaded AmSC IRI API credentials must contain one Globus token entry" + ) + + globus_key, credentials = next(iter(credentials.items())) + if not globus_key.startswith("globus_") or not isinstance(credentials, dict): + raise ValueError( + "Uploaded AmSC IRI API credentials must contain one globus_* token entry" + ) + + required_keys = {"access_token", "refresh_token", "expires_at"} + if not required_keys <= credentials.keys(): + raise ValueError( + "Uploaded AmSC IRI API credentials are missing required token fields" + ) + + access_token = credentials["access_token"] + if isinstance(access_token, (bytes, bytearray)): + access_token = bytes(access_token).decode("utf-8") + + return str(access_token).strip(), float(credentials["expires_at"]) + + async def monitor_iriapi_job(iriapi_job, state_variable): while not iriapi_job.is_terminal: await asyncio.sleep(5) @@ -24,16 +59,47 @@ async def monitor_iriapi_job(iriapi_job, state_variable): def update_iriapi_info(): print("Updating AmSC IRI API info...") try: - # Create an authenticated client - client = Client(auth_method="globus") - # Ping Perlmutter so the UI reflects the current IRI resource status. - nersc = client.facility("nersc") - perlmutter = nersc.resource("compute") - state.iriapi_perlmutter_description = f"{perlmutter.description}" - state.iriapi_perlmutter_status = f"{perlmutter.status}" - print( - f"Perlmutter status is {state.iriapi_perlmutter_status} with description '{state.iriapi_perlmutter_description}'" + # Store the access token from the uploaded file in the corresponding state variable + state.iriapi_key, expires_at = parse_iriapi_credentials() + # (see https://docs.python.org/3/library/datetime.html#format-codes + # for all format codes accepted by the methods strftime and strptime) + user_format = "%B %d, %Y, %H:%M %Z" + # Parse token expiration date from Unix timestamp + expiration_utc = datetime.fromtimestamp( + expires_at, + tz=timezone.utc, ) + expiration = expiration_utc.astimezone( + timezone(expiration_utc.astimezone().utcoffset()) + ) + # If token is not expired, update info, else set to expired/unavailable + if expiration_utc > datetime.now(timezone.utc): + # Update token expiration date + state.iriapi_key_expiration = ( + f"Valid Until {expiration.strftime(user_format)}" + ) + # Create an authenticated client + client = Client(auth_method="globus") + # Ping Perlmutter so the UI reflects the current IRI resource status + nersc = client.facility("nersc") + perlmutter = nersc.resource("compute") + state.iriapi_perlmutter_description = f"{perlmutter.description}" + state.iriapi_perlmutter_status = f"{perlmutter.status}" + print( + f"Perlmutter status is {state.iriapi_perlmutter_status} with description '{state.iriapi_perlmutter_description}'" + ) + else: + # Reset token expiration date + state.iriapi_key_expiration = ( + f"Expired On {expiration.strftime(user_format)}" + ) + # Reset Perlmutter status + state.iriapi_perlmutter_description = "Unavailable" + state.iriapi_perlmutter_status = "unavailable" + title = "Unable to find a valid AmSC IRI API token" + msg = f"AmSC IRI API token expired on {expiration.strftime(user_format)}" + add_error(title, msg) + print(msg) except Exception as e: print(f"An unexpected error occurred when connecting to AmSC IRI API:\n{e}") # Reset key expiration date @@ -49,14 +115,13 @@ def update_iriapi_info(): @state.change("iriapi_key_dict") def load_iriapi_credentials(**kwargs): - # Decode the uploaded token file and immediately validate it against IRI. + # Decode the uploaded token file and immediately validate it against IRI if state.iriapi_key_dict is not None: - print("Loading AmSC IRI API credentials from file...") - state.iriapi_key = state.iriapi_key_dict["content"].decode("utf-8").strip() - if state.iriapi_key: + print("Loading AmSC IRI API credentials...") + try: update_iriapi_info() - else: - print("Uploaded AmSC IRI API token file is empty.") + except Exception as e: + print(f"An error occurred while loading AmSC IRI API credentials: {e}") def load_iriapi_card(): @@ -67,7 +132,7 @@ def load_iriapi_card(): vuetify.VFileInput( v_model=("iriapi_key_dict",), label="Token File", - accept=".txt", + accept=".json", prepend_icon="", prepend_inner_icon="mdi-paperclip", __properties=["accept"], From 44646e30940884b0243c0cccf906c96482b83b93 Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Tue, 5 May 2026 13:59:36 -0700 Subject: [PATCH 37/58] Fix when simulation, training buttons are disabled --- dashboard/execution_mode_manager.py | 7 +++++++ dashboard/model_manager.py | 5 +++-- dashboard/parameters_manager.py | 7 +++++-- 3 files changed, 15 insertions(+), 4 deletions(-) diff --git a/dashboard/execution_mode_manager.py b/dashboard/execution_mode_manager.py index 5e1e0da3..5d9192e9 100644 --- a/dashboard/execution_mode_manager.py +++ b/dashboard/execution_mode_manager.py @@ -12,6 +12,13 @@ ] +def remote_backend_unavailable_expr(mode_state): + return ( + f"(({mode_state} === 'sfapi' && sfapi_perlmutter_status !== 'active') || " + f"({mode_state} === 'iriapi' && iriapi_perlmutter_status !== 'up'))" + ) + + def _log_mode_change(state_key, description): if len(state.modified_keys) == 1: value = state[state_key] diff --git a/dashboard/model_manager.py b/dashboard/model_manager.py index 0f3603f4..69104111 100644 --- a/dashboard/model_manager.py +++ b/dashboard/model_manager.py @@ -15,7 +15,7 @@ from trame.widgets import vuetify3 as vuetify from utils import timer, load_config_dict, create_date_filter from calibration_manager import build_inferred_calibration -from execution_mode_manager import EXECUTION_MODE_ITEMS +from execution_mode_manager import EXECUTION_MODE_ITEMS, remote_backend_unavailable_expr from error_manager import add_error from sfapi_manager import monitor_sfapi_job from iriapi_manager import monitor_iriapi_job @@ -798,7 +798,8 @@ def panel(self): block=True, click=self.training_trigger, disabled=( - "model_training || (model_training_mode === 'sfapi' && sfapi_perlmutter_status !== 'active')", + "model_training || " + f"{remote_backend_unavailable_expr('model_training_mode')}", ), style="text-transform: none", ) diff --git a/dashboard/parameters_manager.py b/dashboard/parameters_manager.py index 20cedc10..2e5fb4f0 100644 --- a/dashboard/parameters_manager.py +++ b/dashboard/parameters_manager.py @@ -9,7 +9,7 @@ from trame.widgets import client, vuetify3 as vuetify from utils import load_variables from calibration_manager import SimulationCalibrationManager -from execution_mode_manager import EXECUTION_MODE_ITEMS +from execution_mode_manager import EXECUTION_MODE_ITEMS, remote_backend_unavailable_expr from error_manager import add_error from sfapi_manager import monitor_sfapi_job from state_manager import state, EXPERIMENTS_PATH @@ -267,7 +267,10 @@ def panel(self): block=True, click=self.simulation_trigger, disabled=( - "simulation_running || !simulatable || simulation_running_mode !== 'sfapi' || sfapi_perlmutter_status !== 'active'", + "simulation_running || !simulatable || " + "(simulation_running_mode !== 'sfapi' && " + "simulation_running_mode !== 'iriapi') || " + f"{remote_backend_unavailable_expr('simulation_running_mode')}", ), style="text-transform: none;", ) From 73a5673efb2a35156c51a2926c8dd2097942ca26 Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Tue, 5 May 2026 14:00:11 -0700 Subject: [PATCH 38/58] Fix label for simulation backend selector --- dashboard/parameters_manager.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/dashboard/parameters_manager.py b/dashboard/parameters_manager.py index 2e5fb4f0..e7285a05 100644 --- a/dashboard/parameters_manager.py +++ b/dashboard/parameters_manager.py @@ -239,7 +239,7 @@ def panel(self): with vuetify.VCol(): vuetify.VSelect( v_model=("simulation_running_mode",), - label="Simulations Backend", + label="Simulation Backend", items=(EXECUTION_MODE_ITEMS,), dense=True, hide_details=True, From 85226382d186d9415103991cd63ce5a7955306dc Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Tue, 5 May 2026 14:17:56 -0700 Subject: [PATCH 39/58] Fix required fields in AmSC IRI API token parser --- dashboard/iriapi_manager.py | 6 +++--- dashboard/sfapi_manager.py | 4 ++-- 2 files changed, 5 insertions(+), 5 deletions(-) diff --git a/dashboard/iriapi_manager.py b/dashboard/iriapi_manager.py index e7851ced..bbccc72a 100644 --- a/dashboard/iriapi_manager.py +++ b/dashboard/iriapi_manager.py @@ -29,7 +29,7 @@ def parse_iriapi_credentials(): "Uploaded AmSC IRI API credentials must contain one globus_* token entry" ) - required_keys = {"access_token", "refresh_token", "expires_at"} + required_keys = {"access_token", "expires_at"} if not required_keys <= credentials.keys(): raise ValueError( "Uploaded AmSC IRI API credentials are missing required token fields" @@ -86,7 +86,7 @@ def update_iriapi_info(): state.iriapi_perlmutter_description = f"{perlmutter.description}" state.iriapi_perlmutter_status = f"{perlmutter.status}" print( - f"Perlmutter status is {state.iriapi_perlmutter_status} with description '{state.iriapi_perlmutter_description}'" + f"Perlmutter status is '{state.iriapi_perlmutter_status}' with description '{state.iriapi_perlmutter_description}'" ) else: # Reset token expiration date @@ -142,7 +142,7 @@ def load_iriapi_card(): with vuetify.VCol(): vuetify.VTextField( v_model=("iriapi_key_expiration",), - label="Token Expiration (if expired or unavailable, please upload a valid token)", + label="Token Expiration", readonly=True, ) # Row with text field to display Perlmutter status diff --git a/dashboard/sfapi_manager.py b/dashboard/sfapi_manager.py index 18ff8883..41a220b6 100644 --- a/dashboard/sfapi_manager.py +++ b/dashboard/sfapi_manager.py @@ -65,7 +65,7 @@ def update_sfapi_info(): state.sfapi_perlmutter_description = f"{status.description}" state.sfapi_perlmutter_status = f"{status.status.value}" print( - f"Perlmutter status is {state.sfapi_perlmutter_status} with description '{state.sfapi_perlmutter_description}'" + f"Perlmutter status is '{state.sfapi_perlmutter_status}' with description '{state.sfapi_perlmutter_description}'" ) else: # reset key expiration date @@ -125,7 +125,7 @@ def load_sfapi_card(): with vuetify.VCol(): vuetify.VTextField( v_model=("sfapi_key_expiration",), - label="Key Expiration (if expired or unavailable, please upload a valid key)", + label="Key Expiration", readonly=True, ) # row with text field to display Perlmutter status From 846e12c5153b2881409e8f251d1a59cd066341eb Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Tue, 5 May 2026 14:24:24 -0700 Subject: [PATCH 40/58] Fix labels for simulation, training backend selectors --- dashboard/model_manager.py | 2 +- dashboard/parameters_manager.py | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/dashboard/model_manager.py b/dashboard/model_manager.py index 69104111..361bae01 100644 --- a/dashboard/model_manager.py +++ b/dashboard/model_manager.py @@ -768,7 +768,7 @@ def panel(self): with vuetify.VCol(): vuetify.VSelect( v_model=("model_training_mode",), - label="Training Backend", + label="Training backend", items=(EXECUTION_MODE_ITEMS,), dense=True, hide_details=True, diff --git a/dashboard/parameters_manager.py b/dashboard/parameters_manager.py index e7285a05..e4bf8d43 100644 --- a/dashboard/parameters_manager.py +++ b/dashboard/parameters_manager.py @@ -239,7 +239,7 @@ def panel(self): with vuetify.VCol(): vuetify.VSelect( v_model=("simulation_running_mode",), - label="Simulation Backend", + label="Simulation backend", items=(EXECUTION_MODE_ITEMS,), dense=True, hide_details=True, From cbd4e082bf66ea2d19d151db19671564252974a6 Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Tue, 5 May 2026 14:36:49 -0700 Subject: [PATCH 41/58] Do not reset execution mode after training job is completed --- dashboard/app.py | 13 +++++++++---- 1 file changed, 9 insertions(+), 4 deletions(-) diff --git a/dashboard/app.py b/dashboard/app.py index 1b439ef2..dd049354 100644 --- a/dashboard/app.py +++ b/dashboard/app.py @@ -48,6 +48,7 @@ def update( reset_parameters=True, reset_calibration=True, reset_plots=True, + reset_execution_modes=True, reset_gui_route_home=True, reset_gui_route_hpc=True, reset_gui_route_chat=True, @@ -66,10 +67,11 @@ def update( ) # load data config_dict = load_config_dict(state.experiment) - # derive execution mode from execution_mode in the experiment configuration file - execution_mode = config_dict.get("execution_mode") or {} - state.model_training_mode = execution_mode.get("ml_training", "local") - state.simulation_running_mode = execution_mode.get("simulation", "local") + if reset_execution_modes: + # Derive execution mode defaults from the experiment configuration file. + execution_mode = config_dict.get("execution_mode") or {} + state.model_training_mode = execution_mode.get("ml_training", "local") + state.simulation_running_mode = execution_mode.get("simulation", "local") db = load_database(config_dict) exp_data, sim_data = load_data(db, state.experiment, state.experiment_date_range) # reset output @@ -145,6 +147,7 @@ def reset(**kwargs): reset_parameters=True, reset_calibration=True, reset_plots=True, + reset_execution_modes="experiment" in state.modified_keys, reset_gui_route_home=True, reset_gui_route_hpc=False, reset_gui_route_chat=False, @@ -163,6 +166,7 @@ def reset(**kwargs): reset_parameters=False, reset_calibration=False, reset_plots=True, + reset_execution_modes=False, reset_gui_route_home=True, reset_gui_route_hpc=False, reset_gui_route_chat=False, @@ -187,6 +191,7 @@ def reset(**kwargs): reset_parameters=False, reset_calibration=False, reset_plots=True, + reset_execution_modes=False, reset_gui_route_home=False, reset_gui_route_hpc=False, reset_gui_route_chat=False, From 01a274e0d46a652b3f5c353eed18db8776f86233 Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Tue, 5 May 2026 14:40:29 -0700 Subject: [PATCH 42/58] Push missing conda environment lock file --- dashboard/environment-lock.yml | 18541 +++++++++++++++++++++++++++++++ 1 file changed, 18541 insertions(+) create mode 100644 dashboard/environment-lock.yml diff --git a/dashboard/environment-lock.yml b/dashboard/environment-lock.yml new file mode 100644 index 00000000..c1fff137 --- /dev/null +++ b/dashboard/environment-lock.yml @@ -0,0 +1,18541 @@ +# This lock file was generated by conda-lock (https://github.com/conda/conda-lock). DO NOT EDIT! +# +# A "lock file" contains a concrete list of package versions (with checksums) to be installed. Unlike +# e.g. `conda env create`, the resulting environment will not change as new package versions become +# available, unless you explicitly update the lock file +# +# Install this environment as "YOURENV" with: +# conda-lock install -n YOURENV environment-lock.yml +# To update a single package to the latest version compatible with the version constraints in the source: +# conda-lock lock --lockfile environment-lock.yml --update PACKAGE +# To re-solve the entire environment, e.g. after changing a version constraint in the source file: +# conda-lock -f environment.yml --lockfile environment-lock.yml +version: 1 +metadata: + content_hash: + linux-64: 3b0accff6016bd2fdcf1e93a16e09dc29597ba987758bfbdbc1fe5fa812ee89d + osx-arm64: 7953bdf12b7ba553d9177eeba5c47b29ca54e183bbefad319861fc1333666aa3 + osx-64: c69a72b9085a0b2971dd6ca48edafa9e72aadf6db8809a930962ea5c4ee0f390 + win-64: f4f164307b7b81c9918c27af5018b5c61fcebdefda7c29a5279edf58301e8e58 + channels: + - url: conda-forge + 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9.1.4 + manager: pip + platform: osx-arm64 + dependencies: {} + url: https://files.pythonhosted.org/packages/d7/c1/eb8f9debc45d3b7918a32ab756658a0904732f75e555402972246b0b8e71/tenacity-9.1.4-py3-none-any.whl + hash: + sha256: 6095a360c919085f28c6527de529e76a06ad89b23659fa881ae0649b867a9d55 + category: main + optional: false +- name: tenacity + version: 9.1.4 + manager: pip + platform: win-64 + dependencies: {} + url: https://files.pythonhosted.org/packages/d7/c1/eb8f9debc45d3b7918a32ab756658a0904732f75e555402972246b0b8e71/tenacity-9.1.4-py3-none-any.whl + hash: + sha256: 6095a360c919085f28c6527de529e76a06ad89b23659fa881ae0649b867a9d55 + category: main + optional: false From 5cbee8d236f0e44c035d4e6fb80b39b949c84159 Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Tue, 5 May 2026 15:49:44 -0700 Subject: [PATCH 43/58] Write AmSC IRI API token file to ~/.amsc/ for containerization --- dashboard/iriapi_manager.py | 44 ++++++++++++++++++++++++++----------- dashboard/sfapi_manager.py | 1 - 2 files changed, 31 insertions(+), 14 deletions(-) diff --git a/dashboard/iriapi_manager.py b/dashboard/iriapi_manager.py index bbccc72a..ca1ea93c 100644 --- a/dashboard/iriapi_manager.py +++ b/dashboard/iriapi_manager.py @@ -1,6 +1,7 @@ import asyncio import json from datetime import datetime, timezone +from pathlib import Path from amsc_client import Client from trame.widgets import vuetify3 as vuetify @@ -9,15 +10,31 @@ from state_manager import state -def parse_iriapi_credentials(): +IRIAPI_CREDENTIALS_PATH = Path.home() / ".amsc" / "credentials.json" + + +def get_uploaded_iriapi_credentials(): content = state.iriapi_key_dict["content"] if isinstance(content, dict): - credentials = content - else: - if isinstance(content, (bytes, bytearray)): - content = bytes(content).decode("utf-8") - credentials = json.loads(content) + return content + + if isinstance(content, (bytes, bytearray)): + content = bytes(content).decode("utf-8") + + return json.loads(content) + + +def write_iriapi_credentials(credentials): + IRIAPI_CREDENTIALS_PATH.parent.mkdir(parents=True, exist_ok=True) + IRIAPI_CREDENTIALS_PATH.write_text( + json.dumps(credentials, indent=2) + "\n", + encoding="utf-8", + ) + IRIAPI_CREDENTIALS_PATH.chmod(0o600) + print(f"Wrote AmSC IRI API credentials to {IRIAPI_CREDENTIALS_PATH}") + +def parse_iriapi_credentials(credentials): if not isinstance(credentials, dict) or len(credentials) != 1: raise ValueError( "Uploaded AmSC IRI API credentials must contain one Globus token entry" @@ -60,7 +77,9 @@ def update_iriapi_info(): print("Updating AmSC IRI API info...") try: # Store the access token from the uploaded file in the corresponding state variable - state.iriapi_key, expires_at = parse_iriapi_credentials() + credentials = get_uploaded_iriapi_credentials() + state.iriapi_key, expires_at = parse_iriapi_credentials(credentials) + write_iriapi_credentials(credentials) # (see https://docs.python.org/3/library/datetime.html#format-codes # for all format codes accepted by the methods strftime and strptime) user_format = "%B %d, %Y, %H:%M %Z" @@ -115,13 +134,12 @@ def update_iriapi_info(): @state.change("iriapi_key_dict") def load_iriapi_credentials(**kwargs): - # Decode the uploaded token file and immediately validate it against IRI - if state.iriapi_key_dict is not None: - print("Loading AmSC IRI API credentials...") - try: + # Skip if triggered on server ready (all state variables marked as modified) + if len(state.modified_keys) == 1: + if state.iriapi_key_dict is not None: + print("Loading AmSC IRI API credentials...") + # Decode, persist, and immediately validate the uploaded token file update_iriapi_info() - except Exception as e: - print(f"An error occurred while loading AmSC IRI API credentials: {e}") def load_iriapi_card(): diff --git a/dashboard/sfapi_manager.py b/dashboard/sfapi_manager.py index 41a220b6..55d8698f 100644 --- a/dashboard/sfapi_manager.py +++ b/dashboard/sfapi_manager.py @@ -96,7 +96,6 @@ def update_sfapi_info(): def load_sfapi_credentials(**kwargs): # skip if triggered on server ready (all state variables marked as modified) if len(state.modified_keys) == 1: - # return if no key file has been uploaded (redundant) if state.sfapi_key_dict is not None: print("Loading Superfacility API credentials...") # store the whole content of the key file in a string From acca89be8c5d5321f34a805b81c5976297e55313 Mon Sep 17 00:00:00 2001 From: Remi Lehe Date: Wed, 6 May 2026 06:04:56 -0700 Subject: [PATCH 44/58] Change title of the app --- dashboard/app.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/dashboard/app.py b/dashboard/app.py index cb5108ff..6fd6efee 100644 --- a/dashboard/app.py +++ b/dashboard/app.py @@ -383,7 +383,7 @@ def chat_route(): def gui_setup(): print("Setting GUI layout...") with SinglePageWithDrawerLayout(server) as layout: - layout.title.set_text("Synapse") + layout.title.set_text("AI real-time guidance platform for accelerators") # add toolbar components with layout.toolbar: vuetify.VSpacer() From a11ea82d298092034eefe084a0311392e6f58be0 Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Wed, 6 May 2026 17:39:40 -0700 Subject: [PATCH 45/58] Make ~/.amsc writable under Spin's random runtime UID --- dashboard.Dockerfile | 4 ++++ dashboard/entrypoint.sh | 8 ++++++++ 2 files changed, 12 insertions(+) diff --git a/dashboard.Dockerfile b/dashboard.Dockerfile index 6d644b6b..4a898ee9 100644 --- a/dashboard.Dockerfile +++ b/dashboard.Dockerfile @@ -7,6 +7,10 @@ WORKDIR /app/dashboard # Silence pip error to install in root dirs ENV PIP_ROOT_USER_ACTION=ignore +# Spin assigns a random UID with no usable home directory. Pre-create +# ~/.amsc as world-writable+sticky so the runtime UID can write to it. +RUN mkdir -p /app/dashboard/.amsc && chmod 1777 /app/dashboard/.amsc + # Install any needed packages specified in the environment file COPY dashboard/environment-lock.yml /app/dashboard/environment-lock.yml diff --git a/dashboard/entrypoint.sh b/dashboard/entrypoint.sh index 75ec8447..235bf568 100755 --- a/dashboard/entrypoint.sh +++ b/dashboard/entrypoint.sh @@ -4,5 +4,13 @@ source /opt/conda/etc/profile.d/conda.sh conda activate synapse-gui +# Give dashboard libraries that rely on Path.home() a stable home in Spin. +export HOME=/app/dashboard + +# amsc-client's default Globus token cache is ~/.amsc/credentials.json. +# Ensure the directory exists at runtime; the Dockerfile created it as +# mode 1777 so the random UID Spin assigns can write into it. +mkdir -p "${HOME}/.amsc" 2>/dev/null || true + # Execute the provided command exec "$@" From 3c7e52266e392f405cd95dbe2bef8e328b4da30a Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Thu, 7 May 2026 09:45:08 -0700 Subject: [PATCH 46/58] Skip 'set -euo pipefail' in training batch script for now --- ml/training_pm.sbatch | 1 - 1 file changed, 1 deletion(-) diff --git a/ml/training_pm.sbatch b/ml/training_pm.sbatch index 6f8f71dc..d1b20349 100644 --- a/ml/training_pm.sbatch +++ b/ml/training_pm.sbatch @@ -1,5 +1,4 @@ #!/bin/bash -l -set -euo pipefail #SBATCH -t 00:15:00 #SBATCH -N 1 From 941585d7207c6ac34b687dfc663b506fb809e8f9 Mon Sep 17 00:00:00 2001 From: Remi Lehe Date: Thu, 7 May 2026 09:52:01 -0700 Subject: [PATCH 47/58] Apply suggestions from code review Co-authored-by: Remi Lehe --- dashboard/app.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/dashboard/app.py b/dashboard/app.py index 6fd6efee..aa003bff 100644 --- a/dashboard/app.py +++ b/dashboard/app.py @@ -383,7 +383,7 @@ def chat_route(): def gui_setup(): print("Setting GUI layout...") with SinglePageWithDrawerLayout(server) as layout: - layout.title.set_text("AI real-time guidance platform for accelerators") + layout.title.set_text("AI Real-Time Guidance Platform for Accelerators") # add toolbar components with layout.toolbar: vuetify.VSpacer() From adb272e735c228f40ef8d6dd37d826dbda58afc9 Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Thu, 7 May 2026 10:55:27 -0700 Subject: [PATCH 48/58] Fix Slurm options to select GPU --- dashboard/model_manager.py | 11 +++++------ 1 file changed, 5 insertions(+), 6 deletions(-) diff --git a/dashboard/model_manager.py b/dashboard/model_manager.py index 361bae01..5bab9e16 100644 --- a/dashboard/model_manager.py +++ b/dashboard/model_manager.py @@ -54,9 +54,9 @@ TRAINING_CONFIG_REMOTE_PATH = f"{TRAINING_REMOTE_DIR}/config.yaml" TRAINING_CONFIG_CONTAINER_PATH = "/app/ml/config.yaml" IRI_SLURM_CUSTOM_ATTRIBUTE_MAP = { - "constraint": "slurm.constraint", - "gpus-per-node": "slurm.gpus-per-node", - "ntasks-per-node": "slurm.ntasks-per-node", + "constraint": "constraint", + "gpus-per-node": "gpus-per-node", + "ntasks-per-node": "ntasks-per-node", "queue": "slurm.qos", } # Match model=$1 or model=${1}, with optional comment @@ -166,8 +166,6 @@ def parse_sbatch_submit_options(script_path): def build_iri_slurm_submit_options(sbatch_submit_options): - # AmSC IRI API submits a PSI/J job spec. Slurm-specific options need the `slurm.` - # custom-attribute prefix so they render as SBATCH directives return { IRI_SLURM_CUSTOM_ATTRIBUTE_MAP.get(option, option): value for option, value in sbatch_submit_options.items() @@ -576,7 +574,8 @@ async def _training_kernel_iriapi( "AmSC IRI API training submit options: " f"account={submit_options['account']}, " f"qos={submit_options['slurm.qos']}, " - f"constraint={submit_options['slurm.constraint']}, " + f"constraint={submit_options['constraint']}, " + f"gpus-per-node={submit_options['gpus-per-node']}, " f"nodes={submit_options['nodes']}, " f"duration={submit_options['duration']}" ) From a1152025eebd07015f26e90abf268b547fc38460 Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Thu, 7 May 2026 11:25:33 -0700 Subject: [PATCH 49/58] Fix Slurm options to select queue --- dashboard/model_manager.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/dashboard/model_manager.py b/dashboard/model_manager.py index 5bab9e16..7800e2f1 100644 --- a/dashboard/model_manager.py +++ b/dashboard/model_manager.py @@ -57,7 +57,7 @@ "constraint": "constraint", "gpus-per-node": "gpus-per-node", "ntasks-per-node": "ntasks-per-node", - "queue": "slurm.qos", + "queue": "queue", } # Match model=$1 or model=${1}, with optional comment SCRIPT_MODEL_ARGUMENT_RE = re.compile(r"^model=\$\{?1\}?\s*(#.*)?$") @@ -573,7 +573,7 @@ async def _training_kernel_iriapi( print( "AmSC IRI API training submit options: " f"account={submit_options['account']}, " - f"qos={submit_options['slurm.qos']}, " + f"queue={submit_options['queue']}, " f"constraint={submit_options['constraint']}, " f"gpus-per-node={submit_options['gpus-per-node']}, " f"nodes={submit_options['nodes']}, " From e24e5031ae206428600eac7cda9ca1ebc252bcd3 Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Thu, 7 May 2026 11:42:38 -0700 Subject: [PATCH 50/58] Clean up obsolete code --- dashboard/model_manager.py | 16 +--------------- 1 file changed, 1 insertion(+), 15 deletions(-) diff --git a/dashboard/model_manager.py b/dashboard/model_manager.py index 7800e2f1..f8c01004 100644 --- a/dashboard/model_manager.py +++ b/dashboard/model_manager.py @@ -53,12 +53,6 @@ TRAINING_REMOTE_DIR = "/global/cfs/cdirs/m558/superfacility/model_training" TRAINING_CONFIG_REMOTE_PATH = f"{TRAINING_REMOTE_DIR}/config.yaml" TRAINING_CONFIG_CONTAINER_PATH = "/app/ml/config.yaml" -IRI_SLURM_CUSTOM_ATTRIBUTE_MAP = { - "constraint": "constraint", - "gpus-per-node": "gpus-per-node", - "ntasks-per-node": "ntasks-per-node", - "queue": "queue", -} # Match model=$1 or model=${1}, with optional comment SCRIPT_MODEL_ARGUMENT_RE = re.compile(r"^model=\$\{?1\}?\s*(#.*)?$") # Capture shell assignments like REGISTRY_NAME=value, ignoring trailing comments @@ -165,13 +159,6 @@ def parse_sbatch_submit_options(script_path): return submit_options -def build_iri_slurm_submit_options(sbatch_submit_options): - return { - IRI_SLURM_CUSTOM_ATTRIBUTE_MAP.get(option, option): value - for option, value in sbatch_submit_options.items() - } - - def build_remote_training_config_path(experiment, model_type): timestamp = datetime.now().strftime("%Y%m%d-%H%M%S") safe_experiment = re.sub(r"[^A-Za-z0-9_.-]+", "-", experiment).strip("-") @@ -565,8 +552,7 @@ async def _training_kernel_iriapi( experiment, model_type ) # Reuse SBATCH directives so AmSC IRI API submissions match the batch script - sbatch_submit_options = parse_sbatch_submit_options(training_script_path) - submit_options = build_iri_slurm_submit_options(sbatch_submit_options) + submit_options = parse_sbatch_submit_options(training_script_path) launch_spec = parse_iri_training_launch_spec( training_script_path, model_type, remote_config_path ) From c59e4e4f3c302dd58738493e21b1c13039ff025c Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Thu, 7 May 2026 13:45:49 -0700 Subject: [PATCH 51/58] Fix vertical spacing allocated for progress bar --- dashboard/model_manager.py | 56 ++++++++++++++++++++------------------ 1 file changed, 29 insertions(+), 27 deletions(-) diff --git a/dashboard/model_manager.py b/dashboard/model_manager.py index 55a79edb..1ca3707b 100644 --- a/dashboard/model_manager.py +++ b/dashboard/model_manager.py @@ -933,38 +933,40 @@ def panel(self): ), ) with vuetify.VRow( - v_if=(MODEL_DOWNLOAD_ACTIVE_EXPR,), no_gutters=True, align="center", - style="margin-top: -8px; margin-bottom: 8px;", + style=( + "margin-top: -8px; margin-bottom: 8px; min-height: 32px;" + ), ): with vuetify.VCol(): - with html.Div( - classes=( - "d-flex align-center text-caption " - "text-medium-emphasis mb-1" - ) - ): - vuetify.VIcon( - "mdi-cloud-download-outline", - size=16, - classes="mr-1", - ) - html.Span(v_text=("model_download_status",)) - vuetify.VSpacer() - html.Span( - v_if=("model_download_progress !== null",), - v_text=( - "`${Math.round(model_download_progress)}%`", - ), + with html.Div(v_if=(MODEL_DOWNLOAD_ACTIVE_EXPR,)): + with html.Div( + classes=( + "d-flex align-center text-caption " + "text-medium-emphasis mb-1" + ) + ): + vuetify.VIcon( + "mdi-cloud-download-outline", + size=16, + classes="mr-1", + ) + html.Span(v_text=("model_download_status",)) + vuetify.VSpacer() + html.Span( + v_if=("model_download_progress !== null",), + v_text=( + "`${Math.round(model_download_progress)}%`", + ), + ) + vuetify.VProgressLinear( + indeterminate=("model_download_progress === null"), + model_value=("model_download_progress",), + color="primary", + height=4, + rounded=True, ) - vuetify.VProgressLinear( - indeterminate=("model_download_progress === null",), - model_value=("model_download_progress",), - color="primary", - height=4, - rounded=True, - ) with vuetify.VRow(): with vuetify.VCol(): vuetify.VSelect( From fda2cbe7f3ffdcff4994c1175e97afb436f3663a Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Thu, 7 May 2026 13:59:40 -0700 Subject: [PATCH 52/58] Fix blinking of model card triggered by progress bar --- dashboard/app.py | 7 +++-- dashboard/model_manager.py | 50 +++++++++++++++++-------------- dashboard/optimization_manager.py | 8 +++++ 3 files changed, 40 insertions(+), 25 deletions(-) diff --git a/dashboard/app.py b/dashboard/app.py index 7cb49eb1..a6bbbc99 100644 --- a/dashboard/app.py +++ b/dashboard/app.py @@ -101,7 +101,10 @@ def update( else: mod_manager = preloaded_model_manager state.model_available = mod_manager.avail() - opt_manager = OptimizationManager(mod_manager) + if opt_manager is None or reset_gui_route_home: + opt_manager = OptimizationManager(mod_manager) + else: + opt_manager.model = mod_manager # reset parameters if reset_parameters: par_manager = ParametersManager(mod_manager, input_variables) @@ -244,7 +247,7 @@ def reset(**kwargs): reset_calibration=False, reset_plots=True, reset_execution_modes=False, - reset_gui_route_home=True, + reset_gui_route_home=False, reset_gui_route_hpc=False, reset_gui_route_chat=False, reset_gui_layout=False, diff --git a/dashboard/model_manager.py b/dashboard/model_manager.py index 1ca3707b..195fb56d 100644 --- a/dashboard/model_manager.py +++ b/dashboard/model_manager.py @@ -898,15 +898,26 @@ def panel(self): classes="d-flex align-center justify-end", ): with html.A( - v_if=(AMSC_MLFLOW_LINK_ACTIVE_EXPR,), - href=(AMSC_MLFLOW_MODEL_URL_EXPR,), + href=( + f"{AMSC_MLFLOW_LINK_ACTIVE_EXPR} ? " + f"{AMSC_MLFLOW_MODEL_URL_EXPR} : null", + ), target="_blank", rel="noopener noreferrer", - title="Open selected model in AmSC MLflow", + title=( + f"{AMSC_MLFLOW_LINK_ACTIVE_EXPR} ? " + "'Open selected model in AmSC MLflow' : " + "'Selected model is not available in AmSC " + "MLflow'", + ), style=( - "display: block; width: 100%; " + f"{AMSC_MLFLOW_LINK_ACTIVE_EXPR} ? " + "'display: block; width: 100%; " "max-width: 300px; margin-left: auto; " - "cursor: pointer;" + "cursor: pointer;' : " + "'display: block; width: 100%; " + "max-width: 300px; margin-left: auto; " + "cursor: default;'" ), ): vuetify.VImg( @@ -915,23 +926,8 @@ def panel(self): max_width=300, max_height=72, contain=True, - style="width: 100%;", + style="width: 100%; cursor: inherit;", ) - vuetify.VImg( - v_if=(f"!({AMSC_MLFLOW_LINK_ACTIVE_EXPR})",), - src=AMSC_LOGO_URL, - alt="AmSC", - max_width=300, - max_height=72, - contain=True, - title=( - "Selected model is not available in AmSC MLflow" - ), - style=( - "width: 100%; max-width: 300px; " - "margin-left: auto;" - ), - ) with vuetify.VRow( no_gutters=True, align="center", @@ -940,7 +936,13 @@ def panel(self): ), ): with vuetify.VCol(): - with html.Div(v_if=(MODEL_DOWNLOAD_ACTIVE_EXPR,)): + with html.Div( + style=( + f"{MODEL_DOWNLOAD_ACTIVE_EXPR} ? " + "'visibility: visible; opacity: 1;' : " + "'visibility: hidden; opacity: 0;'", + ) + ): with html.Div( classes=( "d-flex align-center text-caption " @@ -955,10 +957,12 @@ def panel(self): html.Span(v_text=("model_download_status",)) vuetify.VSpacer() html.Span( - v_if=("model_download_progress !== null",), v_text=( + "model_download_progress === null ? " + "'' : " "`${Math.round(model_download_progress)}%`", ), + style="min-width: 3em; text-align: right;", ) vuetify.VProgressLinear( indeterminate=("model_download_progress === null"), diff --git a/dashboard/optimization_manager.py b/dashboard/optimization_manager.py index 70c88969..8d45c9f9 100644 --- a/dashboard/optimization_manager.py +++ b/dashboard/optimization_manager.py @@ -12,6 +12,14 @@ def __init__(self, model): self.__model = model state.optimization_target = state.displayed_output + @property + def model(self): + return self.__model + + @model.setter + def model(self, model): + self.__model = model + def model_wrapper(self, parameters_array): print("Wrapping model...") # convert array of parameters to dictionary From 04826d7458e8f15b183fe384063ee796ac10393f Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Thu, 7 May 2026 14:04:49 -0700 Subject: [PATCH 53/58] Assume the AmSC logo is always available --- dashboard/model_manager.py | 80 +++++++++++++++++--------------------- 1 file changed, 36 insertions(+), 44 deletions(-) diff --git a/dashboard/model_manager.py b/dashboard/model_manager.py index 195fb56d..b8a3164c 100644 --- a/dashboard/model_manager.py +++ b/dashboard/model_manager.py @@ -33,11 +33,7 @@ MODEL_TYPE_NN_SINGLE = "Neural Network (single)" MODEL_TYPE_NN_ENSEMBLE = "Neural Network (ensemble)" AMSC_LOGO_PATH = LOGO_DIR / "AmSC_300px.png" -AMSC_LOGO_URL = ( - LocalFileManager(LOGO_DIR).url("amsc_logo", AMSC_LOGO_PATH) - if AMSC_LOGO_PATH.is_file() - else None -) +AMSC_LOGO_URL = LocalFileManager(LOGO_DIR).url("amsc_logo", AMSC_LOGO_PATH) MODEL_DOWNLOAD_ACTIVE_EXPR = "model_downloading" AMSC_MLFLOW_LINK_ACTIVE_EXPR = ( f"model_available && model_mlflow_tracking_uri === '{AMSC_MLFLOW_URL}'" @@ -874,7 +870,6 @@ def panel(self): MODEL_TYPE_NN_SINGLE, MODEL_TYPE_NN_ENSEMBLE, ] - model_type_cols = 8 if AMSC_LOGO_URL else 12 with vuetify.VExpansionPanels(v_model=("expand_panel_control_model", 0)): with vuetify.VExpansionPanel( title="Control: Models", @@ -882,9 +877,7 @@ def panel(self): ): with vuetify.VExpansionPanelText(): with vuetify.VRow(align="center"): - with vuetify.VCol( - cols=model_type_cols, classes="d-flex align-center" - ): + with vuetify.VCol(cols=8, classes="d-flex align-center"): vuetify.VSelect( v_model=("model_type_verbose",), label="Model type", @@ -892,42 +885,41 @@ def panel(self): dense=True, hide_details=True, ) - if AMSC_LOGO_URL: - with vuetify.VCol( - cols=4, - classes="d-flex align-center justify-end", + with vuetify.VCol( + cols=4, + classes="d-flex align-center justify-end", + ): + with html.A( + href=( + f"{AMSC_MLFLOW_LINK_ACTIVE_EXPR} ? " + f"{AMSC_MLFLOW_MODEL_URL_EXPR} : null", + ), + target="_blank", + rel="noopener noreferrer", + title=( + f"{AMSC_MLFLOW_LINK_ACTIVE_EXPR} ? " + "'Open selected model in AmSC MLflow' : " + "'Selected model is not available in AmSC " + "MLflow'", + ), + style=( + f"{AMSC_MLFLOW_LINK_ACTIVE_EXPR} ? " + "'display: block; width: 100%; " + "max-width: 300px; margin-left: auto; " + "cursor: pointer;' : " + "'display: block; width: 100%; " + "max-width: 300px; margin-left: auto; " + "cursor: default;'" + ), ): - with html.A( - href=( - f"{AMSC_MLFLOW_LINK_ACTIVE_EXPR} ? " - f"{AMSC_MLFLOW_MODEL_URL_EXPR} : null", - ), - target="_blank", - rel="noopener noreferrer", - title=( - f"{AMSC_MLFLOW_LINK_ACTIVE_EXPR} ? " - "'Open selected model in AmSC MLflow' : " - "'Selected model is not available in AmSC " - "MLflow'", - ), - style=( - f"{AMSC_MLFLOW_LINK_ACTIVE_EXPR} ? " - "'display: block; width: 100%; " - "max-width: 300px; margin-left: auto; " - "cursor: pointer;' : " - "'display: block; width: 100%; " - "max-width: 300px; margin-left: auto; " - "cursor: default;'" - ), - ): - vuetify.VImg( - src=AMSC_LOGO_URL, - alt="AmSC", - max_width=300, - max_height=72, - contain=True, - style="width: 100%; cursor: inherit;", - ) + vuetify.VImg( + src=AMSC_LOGO_URL, + alt="AmSC", + max_width=300, + max_height=72, + contain=True, + style="width: 100%; cursor: inherit;", + ) with vuetify.VRow( no_gutters=True, align="center", From e20887d1d5271bafb602e66ceda7256ba00a7a29 Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Thu, 7 May 2026 14:25:32 -0700 Subject: [PATCH 54/58] Fix dynamic cursor icon to click on AmSC logo --- dashboard/model_manager.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/dashboard/model_manager.py b/dashboard/model_manager.py index b8a3164c..8c750a96 100644 --- a/dashboard/model_manager.py +++ b/dashboard/model_manager.py @@ -909,7 +909,7 @@ def panel(self): "cursor: pointer;' : " "'display: block; width: 100%; " "max-width: 300px; margin-left: auto; " - "cursor: default;'" + "cursor: default;'", ), ): vuetify.VImg( From 3290654563eed2ce85c3490e0f25afaca1523802 Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Thu, 7 May 2026 15:44:55 -0700 Subject: [PATCH 55/58] Fix upload of configuration file used for ML training --- dashboard/model_manager.py | 66 +++++++++++++++++++++++++------------- 1 file changed, 44 insertions(+), 22 deletions(-) diff --git a/dashboard/model_manager.py b/dashboard/model_manager.py index 8c750a96..f4d0abb2 100644 --- a/dashboard/model_manager.py +++ b/dashboard/model_manager.py @@ -185,14 +185,6 @@ def parse_sbatch_submit_options(script_path): return submit_options -def build_remote_training_config_path(experiment, model_type): - timestamp = datetime.now().strftime("%Y%m%d-%H%M%S") - safe_experiment = re.sub(r"[^A-Za-z0-9_.-]+", "-", experiment).strip("-") - safe_model_type = re.sub(r"[^A-Za-z0-9_.-]+", "-", model_type).strip("-") - config_name = f"config-{safe_experiment}-{safe_model_type}-{timestamp}.yaml" - return f"{TRAINING_REMOTE_DIR}/{config_name}" - - def replace_training_config_mount(command, remote_config_path): default_mount = f"{TRAINING_CONFIG_REMOTE_PATH}:{TRAINING_CONFIG_CONTAINER_PATH}" remote_mount = f"{remote_config_path}:{TRAINING_CONFIG_CONTAINER_PATH}" @@ -203,6 +195,43 @@ def replace_training_config_mount(command, remote_config_path): return command.replace(default_mount, remote_mount, 1) +def describe_iriapi_task(task): + """Return the useful details exposed by an AmSC IRI API filesystem task.""" + details = [f"task {task.id} ended with state {task.state}"] + task_data = getattr(task, "_data", None) + if task_data is not None and hasattr(task_data, "to_dict"): + task_dict = task_data.to_dict() + command = task_dict.get("command") + result = task_dict.get("result") + if command: + details.append(f"command={command}") + if result: + details.append(f"result={result}") + return "; ".join(details) + + +async def wait_iriapi_task(task, description): + task = await asyncio.to_thread(task.wait) + if task.state != "completed": + raise RuntimeError(f"{description} failed ({describe_iriapi_task(task)})") + return task + + +async def remove_iriapi_file_if_present(fs, path): + stat_task = await asyncio.to_thread(fs.stat, path) + stat_task = await asyncio.to_thread(stat_task.wait) + if stat_task.state != "completed": + print(f"No existing training configuration found at {path}") + return + + print(f"Removing existing training configuration at {path}...") + rm_task = await asyncio.to_thread(fs.rm, path) + await wait_iriapi_task( + rm_task, + f"Removing existing training configuration at {path}", + ) + + def collapse_shell_command(lines): # Preserve trailing-backslash continuations before tokenizing with shlex command_parts = [] @@ -614,10 +643,7 @@ async def _training_kernel_sfapi( experiment_date_range, simulation_calibration, ) - remote_config_path = build_remote_training_config_path( - experiment, - model_type, - ) + remote_config_path = TRAINING_CONFIG_REMOTE_PATH [target_path] = await perlmutter.ls( TRAINING_REMOTE_DIR, directory=True ) @@ -675,9 +701,7 @@ async def _training_kernel_iriapi( # Get the CFS resource for uploading files shared with compute jobs cfs = await asyncio.to_thread(nersc.resource, "cfs") training_script_path = find_training_script_path() - remote_config_path = build_remote_training_config_path( - experiment, model_type - ) + remote_config_path = TRAINING_CONFIG_REMOTE_PATH # Reuse SBATCH directives so AmSC IRI API submissions match the batch script submit_options = parse_sbatch_submit_options(training_script_path) launch_spec = parse_iri_training_launch_spec( @@ -702,19 +726,17 @@ async def _training_kernel_iriapi( simulation_calibration, ) print("Uploading configuration file to NERSC...") + await remove_iriapi_file_if_present(cfs.fs, remote_config_path) upload_task = await asyncio.to_thread( cfs.fs.upload, config_path, remote_config_path, file_name=PurePosixPath(remote_config_path).name, ) - upload_task = await asyncio.to_thread(upload_task.wait) - if upload_task.state != "completed": - raise RuntimeError( - "Uploading configuration file to NERSC failed " - f"(task {upload_task.id} ended with state " - f"{upload_task.state})" - ) + await wait_iriapi_task( + upload_task, + "Uploading configuration file to NERSC", + ) print(f"Uploaded training configuration to {remote_config_path}") # Submit the training job through the AmSC IRI API From 88c4ab4131ebca97430d8fa07b36deb424a2f32b Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Thu, 7 May 2026 16:31:30 -0700 Subject: [PATCH 56/58] Fix remaining bugs: upload when file exists, GPU options --- dashboard/model_manager.py | 132 +++++++++++++++++++++---------------- ml/training_pm.sbatch | 9 ++- 2 files changed, 83 insertions(+), 58 deletions(-) diff --git a/dashboard/model_manager.py b/dashboard/model_manager.py index f4d0abb2..4eb28145 100644 --- a/dashboard/model_manager.py +++ b/dashboard/model_manager.py @@ -16,6 +16,12 @@ import mlflow.utils.file_utils as mlflow_file_utils from mlflow.exceptions import MlflowException from trame.assets.local import LocalFileManager +from iri_api_autogen.models import ( + JobAttributes, + JobAttributesCustomAttributes, + JobSpec, + ResourceSpec, +) from sfapi_client import AsyncClient from sfapi_client.compute import Machine from trame.widgets import vuetify3 as vuetify, html @@ -185,50 +191,54 @@ def parse_sbatch_submit_options(script_path): return submit_options -def replace_training_config_mount(command, remote_config_path): - default_mount = f"{TRAINING_CONFIG_REMOTE_PATH}:{TRAINING_CONFIG_CONTAINER_PATH}" - remote_mount = f"{remote_config_path}:{TRAINING_CONFIG_CONTAINER_PATH}" - if default_mount not in command: - raise ValueError( - "Could not find the training config bind mount in the launch command" - ) - return command.replace(default_mount, remote_mount, 1) +def _custom_attributes_from_submit_options(submit_options): + custom_attributes = JobAttributesCustomAttributes() + for key in ("constraint",): + if key in submit_options: + custom_attributes.additional_properties[key] = submit_options[key] + return custom_attributes -def describe_iriapi_task(task): - """Return the useful details exposed by an AmSC IRI API filesystem task.""" - details = [f"task {task.id} ended with state {task.state}"] - task_data = getattr(task, "_data", None) - if task_data is not None and hasattr(task_data, "to_dict"): - task_dict = task_data.to_dict() - command = task_dict.get("command") - result = task_dict.get("result") - if command: - details.append(f"command={command}") - if result: - details.append(f"result={result}") - return "; ".join(details) - +def _gpu_cores_per_process(submit_options): + gpus_per_node = int(submit_options["gpus-per-node"]) + tasks_per_node = int(submit_options["ntasks-per-node"]) + if gpus_per_node % tasks_per_node != 0: + raise ValueError( + "AmSC IRI API GPU resources require --gpus-per-node to be evenly " + "divisible by --ntasks-per-node" + ) + return gpus_per_node // tasks_per_node -async def wait_iriapi_task(task, description): - task = await asyncio.to_thread(task.wait) - if task.state != "completed": - raise RuntimeError(f"{description} failed ({describe_iriapi_task(task)})") - return task +def build_iri_training_job_spec(submit_options, launch_spec, directory): + """Build an IRI JobSpec with GPU resources in the standard resource field.""" + tasks_per_node = int(submit_options["ntasks-per-node"]) + node_count = submit_options["nodes"] -async def remove_iriapi_file_if_present(fs, path): - stat_task = await asyncio.to_thread(fs.stat, path) - stat_task = await asyncio.to_thread(stat_task.wait) - if stat_task.state != "completed": - print(f"No existing training configuration found at {path}") - return + resources = ResourceSpec( + node_count=node_count, + process_count=node_count * tasks_per_node, + processes_per_node=tasks_per_node, + gpu_cores_per_process=_gpu_cores_per_process(submit_options), + ) + attributes = JobAttributes( + duration=submit_options["duration"], + queue_name=submit_options["queue"], + account=submit_options["account"], + custom_attributes=_custom_attributes_from_submit_options(submit_options), + ) - print(f"Removing existing training configuration at {path}...") - rm_task = await asyncio.to_thread(fs.rm, path) - await wait_iriapi_task( - rm_task, - f"Removing existing training configuration at {path}", + return JobSpec( + executable=launch_spec["executable"], + arguments=launch_spec["arguments"], + directory=directory, + name=submit_options["name"], + resources=resources, + attributes=attributes, + stdout_path=submit_options["stdout_path"], + stderr_path=submit_options["stderr_path"], + pre_launch=launch_spec["pre_launch"], + launcher=launch_spec["launcher"], ) @@ -238,16 +248,23 @@ def collapse_shell_command(lines): current_command = "" for line in lines: stripped = line.strip() + if not stripped or stripped.startswith("#"): + continue + if stripped.endswith("\\"): current_command += f"{stripped[:-1]} " else: - command_parts.append(f"{current_command}{stripped}".strip()) + command = f"{current_command}{stripped}".strip() + if command: + command_parts.append(command) current_command = "" if current_command: - command_parts.append(current_command.strip()) + command = current_command.strip() + if command: + command_parts.append(command) - return " ".join(command_parts) + return "; ".join(command_parts) def parse_shell_variable_assignments(lines): @@ -285,7 +302,7 @@ def expand_iri_shell_command(command, model_type, variables): return expanded -def parse_iri_training_launch_spec(script_path, model_type, remote_config_path=None): +def parse_iri_training_launch_spec(script_path, model_type): # Split the batch script into setup lines and the podman-hpc launch command pre_launch_lines = [] launch_lines = [] @@ -321,8 +338,6 @@ def parse_iri_training_launch_spec(script_path, model_type, remote_config_path=N rf"^\s*{re.escape(launcher)}\s+", "", launch_command, count=1 ) shell_command = expand_iri_shell_command(shell_command, model_type, variables) - if remote_config_path is not None: - shell_command = replace_training_config_mount(shell_command, remote_config_path) arguments = ["-lc", shell_command] return { @@ -664,10 +679,6 @@ async def _training_kernel_sfapi( repl=rf"--model {model_type}", string=training_script, ) - training_script = replace_training_config_mount( - training_script, remote_config_path - ) - # submit the training job through the Superfacility API sfapi_job = await perlmutter.submit_job(training_script) state.model_training_status = "Submitted" @@ -705,7 +716,11 @@ async def _training_kernel_iriapi( # Reuse SBATCH directives so AmSC IRI API submissions match the batch script submit_options = parse_sbatch_submit_options(training_script_path) launch_spec = parse_iri_training_launch_spec( - training_script_path, model_type, remote_config_path + training_script_path, + model_type, + ) + training_job_spec = build_iri_training_job_spec( + submit_options, launch_spec, TRAINING_REMOTE_DIR ) print( "AmSC IRI API training submit options: " @@ -713,6 +728,8 @@ async def _training_kernel_iriapi( f"queue={submit_options['queue']}, " f"constraint={submit_options['constraint']}, " f"gpus-per-node={submit_options['gpus-per-node']}, " + f"gpu-cores-per-process=" + f"{training_job_spec.resources.gpu_cores_per_process}, " f"nodes={submit_options['nodes']}, " f"duration={submit_options['duration']}" ) @@ -726,25 +743,26 @@ async def _training_kernel_iriapi( simulation_calibration, ) print("Uploading configuration file to NERSC...") - await remove_iriapi_file_if_present(cfs.fs, remote_config_path) upload_task = await asyncio.to_thread( cfs.fs.upload, config_path, remote_config_path, file_name=PurePosixPath(remote_config_path).name, ) - await wait_iriapi_task( - upload_task, - "Uploading configuration file to NERSC", - ) + upload_task = await asyncio.to_thread(upload_task.wait) + if upload_task.state != "completed": + raise RuntimeError( + "Uploading configuration file to NERSC failed " + f"(task {upload_task.id} ended with state " + f"{upload_task.state})" + ) print(f"Uploaded training configuration to {remote_config_path}") # Submit the training job through the AmSC IRI API + print(f"training_job_spec: {training_job_spec}") iriapi_job = await asyncio.to_thread( perlmutter.submit, - directory=TRAINING_REMOTE_DIR, - **submit_options, - **launch_spec, + body=training_job_spec, ) state.model_training_status = "Submitted" state.flush() diff --git a/ml/training_pm.sbatch b/ml/training_pm.sbatch index d1b20349..2bb4175a 100644 --- a/ml/training_pm.sbatch +++ b/ml/training_pm.sbatch @@ -25,6 +25,7 @@ DB_ENV_FILE="$HOME/db-podman.profile" REGISTRY_NAME="registry.nersc.gov" IMAGE_NAME="m558/superfacility/synapse-ml" IMAGE_VERSION="latest" +TRAINING_CONFIG_FILE="/global/cfs/cdirs/m558/superfacility/model_training/config.yaml" if [ ! -r "${REGISTRY_PROFILE}" ]; then echo "Missing registry credentials file: ${REGISTRY_PROFILE}" >&2 @@ -82,7 +83,13 @@ echo "Container check/pull took ${SECONDS} seconds." # Reference: nvidia-smi topo -m srun podman-hpc run --gpu \ -v /etc/localtime:/etc/localtime \ - -v /global/cfs/cdirs/m558/superfacility/model_training/config.yaml:/app/ml/config.yaml \ + -v "${TRAINING_CONFIG_FILE}":/app/ml/config.yaml \ --env-file "${DB_ENV_FILE}" \ --rm -it ${REGISTRY_NAME}/${IMAGE_NAME}:${IMAGE_VERSION} \ python -u /app/ml/train_model.py --config_file /app/ml/config.yaml --model ${model} + +# Remove the uploaded config after training while preserving the training exit code +training_exit=$? +rm -f "${TRAINING_CONFIG_FILE}" +cleanup_exit=$? +exit $(( training_exit != 0 ? training_exit : cleanup_exit )) From ed82bcb143bbb3fc8ea3be4a79778c65738b577f Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Thu, 7 May 2026 16:47:18 -0700 Subject: [PATCH 57/58] Revert to timestamp filename, overwrite training script on the fly --- dashboard/model_manager.py | 73 ++++++++++++++++++++++++++++++++++---- ml/training_pm.sbatch | 10 ++---- 2 files changed, 69 insertions(+), 14 deletions(-) diff --git a/dashboard/model_manager.py b/dashboard/model_manager.py index 4eb28145..8a9e8d9e 100644 --- a/dashboard/model_manager.py +++ b/dashboard/model_manager.py @@ -85,6 +85,16 @@ TRAINING_REMOTE_DIR = "/global/cfs/cdirs/m558/superfacility/model_training" TRAINING_CONFIG_REMOTE_PATH = f"{TRAINING_REMOTE_DIR}/config.yaml" TRAINING_CONFIG_CONTAINER_PATH = "/app/ml/config.yaml" +TRAINING_CONFIG_MOUNT_RE = re.compile( + rf"(?P(?:^|\s)-v\s+)" + rf"(?P[\"']?)" + rf"(?P[^\"'\s:]+)" + rf"(?P=host_quote):" + rf"(?P[\"']?)" + rf"{re.escape(TRAINING_CONFIG_CONTAINER_PATH)}" + rf"(?P=container_quote)" + rf"(?=\s|\\|$)" +) # Match model=$1 or model=${1}, with optional comment SCRIPT_MODEL_ARGUMENT_RE = re.compile(r"^model=\$\{?1\}?\s*(#.*)?$") # Capture shell assignments like REGISTRY_NAME=value, ignoring trailing comments @@ -191,6 +201,35 @@ def parse_sbatch_submit_options(script_path): return submit_options +def build_remote_training_config_path(experiment, model_type): + timestamp = datetime.now().strftime("%Y%m%d-%H%M%S") + safe_experiment = re.sub(r"[^A-Za-z0-9_.-]+", "-", experiment).strip("-") + safe_model_type = re.sub(r"[^A-Za-z0-9_.-]+", "-", model_type).strip("-") + config_name = f"config-{safe_experiment}-{safe_model_type}-{timestamp}.yaml" + return f"{TRAINING_REMOTE_DIR}/{config_name}" + + +def replace_training_config_mount(command, remote_config_path): + """Rewrite only the host path bound to the fixed container config path.""" + + def replace_mount(match): + return ( + f"{match.group('prefix')}" + f"{shlex.quote(remote_config_path)}:{TRAINING_CONFIG_CONTAINER_PATH}" + ) + + rewritten_command, replacement_count = TRAINING_CONFIG_MOUNT_RE.subn( + replace_mount, + command, + count=1, + ) + if replacement_count != 1: + raise ValueError( + "Could not find the training config bind mount in the launch command" + ) + return rewritten_command + + def _custom_attributes_from_submit_options(submit_options): custom_attributes = JobAttributesCustomAttributes() for key in ("constraint",): @@ -243,7 +282,10 @@ def build_iri_training_job_spec(submit_options, launch_spec, directory): def collapse_shell_command(lines): - # Preserve trailing-backslash continuations before tokenizing with shlex + """Return the one command from a launch block. + + Blank and comment-only lines are ignored before enforcing the command count. + """ command_parts = [] current_command = "" for line in lines: @@ -264,7 +306,13 @@ def collapse_shell_command(lines): if command: command_parts.append(command) - return "; ".join(command_parts) + if len(command_parts) != 1: + raise ValueError( + "Expected exactly one AmSC IRI API training launch command, " + f"but found {len(command_parts)}" + ) + + return command_parts[0] def parse_shell_variable_assignments(lines): @@ -302,8 +350,9 @@ def expand_iri_shell_command(command, model_type, variables): return expanded -def parse_iri_training_launch_spec(script_path, model_type): - # Split the batch script into setup lines and the podman-hpc launch command +def parse_iri_training_launch_spec(script_path, model_type, remote_config_path=None): + # Keep setup as raw pre_launch lines; only the podman-hpc launch command + # is collapsed and rewritten locally. pre_launch_lines = [] launch_lines = [] found_launch = False @@ -338,6 +387,8 @@ def parse_iri_training_launch_spec(script_path, model_type): rf"^\s*{re.escape(launcher)}\s+", "", launch_command, count=1 ) shell_command = expand_iri_shell_command(shell_command, model_type, variables) + if remote_config_path is not None: + shell_command = replace_training_config_mount(shell_command, remote_config_path) arguments = ["-lc", shell_command] return { @@ -658,7 +709,10 @@ async def _training_kernel_sfapi( experiment_date_range, simulation_calibration, ) - remote_config_path = TRAINING_CONFIG_REMOTE_PATH + remote_config_path = build_remote_training_config_path( + experiment, + model_type, + ) [target_path] = await perlmutter.ls( TRAINING_REMOTE_DIR, directory=True ) @@ -679,6 +733,9 @@ async def _training_kernel_sfapi( repl=rf"--model {model_type}", string=training_script, ) + training_script = replace_training_config_mount( + training_script, remote_config_path + ) # submit the training job through the Superfacility API sfapi_job = await perlmutter.submit_job(training_script) state.model_training_status = "Submitted" @@ -712,12 +769,16 @@ async def _training_kernel_iriapi( # Get the CFS resource for uploading files shared with compute jobs cfs = await asyncio.to_thread(nersc.resource, "cfs") training_script_path = find_training_script_path() - remote_config_path = TRAINING_CONFIG_REMOTE_PATH + remote_config_path = build_remote_training_config_path( + experiment, + model_type, + ) # Reuse SBATCH directives so AmSC IRI API submissions match the batch script submit_options = parse_sbatch_submit_options(training_script_path) launch_spec = parse_iri_training_launch_spec( training_script_path, model_type, + remote_config_path, ) training_job_spec = build_iri_training_job_spec( submit_options, launch_spec, TRAINING_REMOTE_DIR diff --git a/ml/training_pm.sbatch b/ml/training_pm.sbatch index 2bb4175a..c9be2be9 100644 --- a/ml/training_pm.sbatch +++ b/ml/training_pm.sbatch @@ -25,7 +25,6 @@ DB_ENV_FILE="$HOME/db-podman.profile" REGISTRY_NAME="registry.nersc.gov" IMAGE_NAME="m558/superfacility/synapse-ml" IMAGE_VERSION="latest" -TRAINING_CONFIG_FILE="/global/cfs/cdirs/m558/superfacility/model_training/config.yaml" if [ ! -r "${REGISTRY_PROFILE}" ]; then echo "Missing registry credentials file: ${REGISTRY_PROFILE}" >&2 @@ -81,15 +80,10 @@ echo "Container check/pull took ${SECONDS} seconds." # CUDA visible devices are ordered inverse to local task IDs # Reference: nvidia-smi topo -m +# API submissions rewrite only the host side of the config mount. srun podman-hpc run --gpu \ -v /etc/localtime:/etc/localtime \ - -v "${TRAINING_CONFIG_FILE}":/app/ml/config.yaml \ + -v /global/cfs/cdirs/m558/superfacility/model_training/config.yaml:/app/ml/config.yaml \ --env-file "${DB_ENV_FILE}" \ --rm -it ${REGISTRY_NAME}/${IMAGE_NAME}:${IMAGE_VERSION} \ python -u /app/ml/train_model.py --config_file /app/ml/config.yaml --model ${model} - -# Remove the uploaded config after training while preserving the training exit code -training_exit=$? -rm -f "${TRAINING_CONFIG_FILE}" -cleanup_exit=$? -exit $(( training_exit != 0 ? training_exit : cleanup_exit )) From 4f36e3c5580dc55cb48ad92c08d931a8c2fb26d9 Mon Sep 17 00:00:00 2001 From: Edoardo Zoni Date: Thu, 7 May 2026 16:58:29 -0700 Subject: [PATCH 58/58] Remove debugging print --- dashboard/model_manager.py | 1 - 1 file changed, 1 deletion(-) diff --git a/dashboard/model_manager.py b/dashboard/model_manager.py index 8a9e8d9e..ca14587f 100644 --- a/dashboard/model_manager.py +++ b/dashboard/model_manager.py @@ -820,7 +820,6 @@ async def _training_kernel_iriapi( print(f"Uploaded training configuration to {remote_config_path}") # Submit the training job through the AmSC IRI API - print(f"training_job_spec: {training_job_spec}") iriapi_job = await asyncio.to_thread( perlmutter.submit, body=training_job_spec,