feat(dask): add initial dask support (reanahub#701)

AUTHORS.md

@@ -3,6 +3,7 @@
 The list of contributors in alphabetical order:
 
 - [Adelina Lintuluoto](https://orcid.org/0000-0002-0726-1452)
+- [Alp Tuna](https://orcid.org/0009-0001-1915-3993)
 - [Anton Khodak](https://orcid.org/0000-0003-3263-4553)
 - [Audrius Mecionis](https://orcid.org/0000-0002-3759-1663)
 - [Bruno Rosendo](https://orcid.org/0000-0002-0923-3148)

docs/openapi.json

@@ -429,6 +429,26 @@
                     "slurmcern"
                   ]
                 },
+                "dask_cluster_default_number_of_workers": {
+                  "title": "Default number of workers for Dask clusters",
+                  "value": "2Gi"
+                },
+                "dask_cluster_default_single_worker_memory": {
+                  "title": "Amount of memory for one Dask worker by default",
+                  "value": "2Gi"
+                },
+                "dask_cluster_max_memory_limit": {
+                  "title": "Maximum memory limit for Dask clusters",
+                  "value": "16Gi"
+                },
+                "dask_cluster_max_single_worker_memory": {
+                  "title": "Maximum amount of memory for one Dask worker",
+                  "value": "8Gi"
+                },
+                "dask_enabled": {
+                  "title": "Dask workflows allowed in the cluster",
+                  "value": "False"
+                },
                 "default_kubernetes_jobs_timeout": {
                   "title": "Default timeout for Kubernetes jobs",
                   "value": "604800"
@@ -479,6 +499,61 @@
                   },
                   "type": "object"
                 },
+                "dask_cluster_default_number_of_workers": {
+                  "properties": {
+                    "title": {
+                      "type": "string"
+                    },
+                    "value": {
+                      "type": "string"
+                    }
+                  },
+                  "type": "object"
+                },
+                "dask_cluster_default_single_worker_memory": {
+                  "properties": {
+                    "title": {
+                      "type": "string"
+                    },
+                    "value": {
+                      "type": "string"
+                    }
+                  },
+                  "type": "object"
+                },
+                "dask_cluster_max_memory_limit": {
+                  "properties": {
+                    "title": {
+                      "type": "string"
+                    },
+                    "value": {
+                      "type": "string"
+                    }
+                  },
+                  "type": "object"
+                },
+                "dask_cluster_max_single_worker_memory": {
+                  "properties": {
+                    "title": {
+                      "type": "string"
+                    },
+                    "value": {
+                      "type": "string"
+                    }
+                  },
+                  "type": "object"
+                },
+                "dask_enabled": {
+                  "properties": {
+                    "title": {
+                      "type": "string"
+                    },
+                    "value": {
+                      "type": "string"
+                    }
+                  },
+                  "type": "object"
+                },
                 "default_kubernetes_jobs_timeout": {
                   "properties": {
                     "title": {

reana_server/config.py

@@ -1,7 +1,7 @@
 # -*- coding: utf-8 -*-
 #
 # This file is part of REANA.
-# Copyright (C) 2017, 2018, 2019, 2020, 2021, 2022, 2023 CERN.
+# Copyright (C) 2017, 2018, 2019, 2020, 2021, 2022, 2023, 2024 CERN.
 #
 # REANA is free software; you can redistribute it and/or modify it
 # under the terms of the MIT License; see LICENSE file for more details.
@@ -58,6 +58,29 @@
     os.getenv("LOGIN_PROVIDERS_SECRETS", "{}")
 )
 
+DASK_ENABLED = strtobool(os.getenv("DASK_ENABLED", "true"))
+"""Whether Dask is enabled in the cluster or not"""
+
+REANA_DASK_CLUSTER_MAX_MEMORY_LIMIT = os.getenv(
+    "REANA_DASK_CLUSTER_MAX_MEMORY_LIMIT", "16Gi"
+)
+"""Maximum memory limit for Dask clusters."""
+
+REANA_DASK_CLUSTER_DEFAULT_NUMBER_OF_WORKERS = int(
+    os.getenv("REANA_DASK_CLUSTER_DEFAULT_NUMBER_OF_WORKERS", 2)
+)
+"""Number of workers in Dask cluster by default """
+
+REANA_DASK_CLUSTER_DEFAULT_SINGLE_WORKER_MEMORY = os.getenv(
+    "REANA_DASK_CLUSTER_DEFAULT_SINGLE_WORKER_MEMORY", "2Gi"
+)
+"""Memory for one Dask worker by default."""
+
+REANA_DASK_CLUSTER_MAX_SINGLE_WORKER_MEMORY = os.getenv(
+    "REANA_DASK_CLUSTER_MAX_SINGLE_WORKER_MEMORY", "8Gi"
+)
+"""Maximum memory for one Dask worker."""
+
 REANA_KUBERNETES_JOBS_MEMORY_LIMIT = os.getenv("REANA_KUBERNETES_JOBS_MEMORY_LIMIT")
 """Maximum memory limit for user job containers for workflow complexity estimation."""
 

reana_server/rest/info.py

@@ -1,7 +1,7 @@
 # -*- coding: utf-8 -*-
 #
 # This file is part of REANA.
-# Copyright (C) 2021, 2022 CERN.
+# Copyright (C) 2021, 2022, 2024 CERN.
 #
 # REANA is free software; you can redistribute it and/or modify it
 # under the terms of the MIT License; see LICENSE file for more details.
@@ -24,6 +24,11 @@
     REANA_KUBERNETES_JOBS_TIMEOUT_LIMIT,
     REANA_KUBERNETES_JOBS_MAX_USER_TIMEOUT_LIMIT,
     REANA_INTERACTIVE_SESSION_MAX_INACTIVITY_PERIOD,
+    DASK_ENABLED,
+    REANA_DASK_CLUSTER_DEFAULT_NUMBER_OF_WORKERS,
+    REANA_DASK_CLUSTER_MAX_MEMORY_LIMIT,
+    REANA_DASK_CLUSTER_DEFAULT_SINGLE_WORKER_MEMORY,
+    REANA_DASK_CLUSTER_MAX_SINGLE_WORKER_MEMORY,
 )
 from reana_server.decorators import signin_required
 
@@ -125,6 +130,41 @@ def info(user, **kwargs):  # noqa
                       type: string
                     type: array
                 type: object
+              dask_enabled:
+                properties:
+                  title:
+                    type: string
+                  value:
+                    type: string
+                type: object
+              dask_cluster_max_memory_limit:
+                properties:
+                  title:
+                    type: string
+                  value:
+                    type: string
+                type: object
+              dask_cluster_default_number_of_workers:
+                properties:
+                  title:
+                    type: string
+                  value:
+                    type: string
+                type: object
+              dask_cluster_default_single_worker_memory:
+                properties:
+                  title:
+                    type: string
+                  value:
+                    type: string
+                type: object
+              dask_cluster_max_single_worker_memory:
+                properties:
+                  title:
+                    type: string
+                  value:
+                    type: string
+                type: object
             type: object
           examples:
             application/json:
@@ -165,6 +205,26 @@ def info(user, **kwargs):  # noqa
                     "title": "Maximum timeout for Kubernetes jobs",
                     "value": "1209600"
                 },
+                "dask_enabled": {
+                    "title": "Dask workflows allowed in the cluster",
+                    "value": "False"
+                },
+                "dask_cluster_max_memory_limit": {
+                    "title": "Maximum memory limit for Dask clusters",
+                    "value": "16Gi"
+                },
+                "dask_cluster_default_number_of_workers": {
+                    "title": "Default number of workers for Dask clusters",
+                    "value": "2Gi"
+                },
+                "dask_cluster_default_single_worker_memory": {
+                    "title": "Amount of memory for one Dask worker by default",
+                    "value": "2Gi"
+                },
+                "dask_cluster_max_single_worker_memory": {
+                    "title": "Maximum amount of memory for one Dask worker",
+                    "value": "8Gi"
+                },
               }
         500:
           description: >-
@@ -217,7 +277,29 @@ def info(user, **kwargs):  # noqa
                 title="Maximum inactivity period in days before automatic closure of interactive sessions",
                 value=REANA_INTERACTIVE_SESSION_MAX_INACTIVITY_PERIOD,
             ),
+            dask_enabled=dict(
+                title="Dask workflows allowed in the cluster",
+                value=bool(DASK_ENABLED),
+            ),
         )
+        if DASK_ENABLED:
+            cluster_information["dask_cluster_default_number_of_workers"] = dict(
+                title="Number of workers in Dask clusters by default",
+                value=REANA_DASK_CLUSTER_DEFAULT_NUMBER_OF_WORKERS,
+            )
+            cluster_information["dask_cluster_max_memory_limit"] = dict(
+                title="Maximum memory limit for Dask clusters",
+                value=REANA_DASK_CLUSTER_MAX_MEMORY_LIMIT,
+            )
+            cluster_information["dask_cluster_default_single_worker_memory"] = dict(
+                title="Memory for one Dask worker by default",
+                value=REANA_DASK_CLUSTER_DEFAULT_SINGLE_WORKER_MEMORY,
+            )
+            cluster_information["dask_cluster_max_single_worker_memory"] = dict(
+                title="Maximum memory for one Dask worker",
+                value=REANA_DASK_CLUSTER_MAX_SINGLE_WORKER_MEMORY,
+            )
+
         return InfoSchema().dump(cluster_information)
 
     except Exception as e:
@@ -260,3 +342,10 @@ class InfoSchema(Schema):
     maximum_interactive_session_inactivity_period = fields.Nested(
         StringNullableInfoValue
     )
+    kubernetes_max_memory_limit = fields.Nested(StringInfoValue)
+    dask_enabled = fields.Nested(StringInfoValue)
+    if DASK_ENABLED:
+        dask_cluster_default_number_of_workers = fields.Nested(StringInfoValue)
+        dask_cluster_max_memory_limit = fields.Nested(StringInfoValue)
+        dask_cluster_default_single_worker_memory = fields.Nested(StringInfoValue)
+        dask_cluster_max_single_worker_memory = fields.Nested(StringInfoValue)

reana_server/rest/workflows.py

@@ -49,6 +49,7 @@
     validate_inputs,
     validate_workflow,
     validate_workspace_path,
+    validate_dask_memory_and_cores_limits,
 )
 from webargs import fields, validate
 from webargs.flaskparser import use_kwargs
@@ -566,6 +567,8 @@ def create_workflow(user):  # noqa
 
         validate_inputs(reana_spec_file)
 
+        validate_dask_memory_and_cores_limits(reana_spec_file)
+
         retention_days = reana_spec_file.get("workspace", {}).get("retention_days")
         retention_rules = get_workspace_retention_rules(retention_days)
 

reana_server/validation.py

@@ -1,7 +1,7 @@
 # -*- coding: utf-8 -*-
 #
 # This file is part of REANA.
-# Copyright (C) 2022 CERN.
+# Copyright (C) 2022, 2024 CERN.
 #
 # REANA is free software; you can redistribute it and/or modify it
 # under the terms of the MIT License; see LICENSE file for more details.
@@ -18,8 +18,17 @@
 from reana_commons.validation.operational_options import validate_operational_options
 from reana_commons.validation.parameters import build_parameters_validator
 from reana_commons.validation.utils import validate_reana_yaml, validate_workspace
-
-from reana_server.config import SUPPORTED_COMPUTE_BACKENDS, WORKSPACE_RETENTION_PERIOD
+from reana_commons.job_utils import kubernetes_memory_to_bytes
+
+from reana_server.config import (
+    SUPPORTED_COMPUTE_BACKENDS,
+    WORKSPACE_RETENTION_PERIOD,
+    DASK_ENABLED,
+    REANA_DASK_CLUSTER_MAX_MEMORY_LIMIT,
+    REANA_DASK_CLUSTER_DEFAULT_NUMBER_OF_WORKERS,
+    REANA_DASK_CLUSTER_DEFAULT_SINGLE_WORKER_MEMORY,
+    REANA_DASK_CLUSTER_MAX_SINGLE_WORKER_MEMORY,
+)
 from reana_server import utils
 
 
@@ -153,3 +162,41 @@ def validate_retention_rule(rule: str, days: int) -> None:
             "Maximum workflow retention period was reached. "
             f"Please use less than {WORKSPACE_RETENTION_PERIOD} days."
         )
+
+
+def validate_dask_memory_and_cores_limits(reana_yaml: Dict) -> None:
+    """Validate Dask workflows are allowed in the cluster and memory limits are respected."""
+    # Validate Dask workflows are allowed in the cluster
+    dask_resources = reana_yaml["workflow"].get("resources", {}).get("dask", {})
+    if not DASK_ENABLED and dask_resources != {}:
+        raise REANAValidationError("Dask workflows are not allowed in this cluster.")
+
+    # Validate Dask memory limit requested by the workflow
+    if dask_resources:
+        single_worker_memory = dask_resources.get(
+            "single_worker_memory", REANA_DASK_CLUSTER_DEFAULT_SINGLE_WORKER_MEMORY
+        )
+        if kubernetes_memory_to_bytes(
+            single_worker_memory
+        ) > kubernetes_memory_to_bytes(REANA_DASK_CLUSTER_MAX_SINGLE_WORKER_MEMORY):
+            raise REANAValidationError(
+                f'The "single_worker_memory" provided in the dask resources exceeds the limit ({REANA_DASK_CLUSTER_MAX_SINGLE_WORKER_MEMORY}).'
+            )
+
+        number_of_workers = int(
+            dask_resources.get(
+                "number_of_workers", REANA_DASK_CLUSTER_DEFAULT_NUMBER_OF_WORKERS
+            )
+        )
+        requested_dask_cluster_memory = (
+            kubernetes_memory_to_bytes(single_worker_memory) * number_of_workers
+        )
+
+        if requested_dask_cluster_memory > kubernetes_memory_to_bytes(
+            REANA_DASK_CLUSTER_MAX_MEMORY_LIMIT
+        ):
+            raise REANAValidationError(
+                f'The "memory" requested in the dask resources exceeds the limit ({REANA_DASK_CLUSTER_MAX_MEMORY_LIMIT}).\nDecrease the number of workers requested or amount of memory consumed by a single worker.'
+            )
+
+    return None