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temp.yaml
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completed: true
created: "2022-07-06T18:19:21.660023229Z"
currentRepresentation: null
id: benchmarking-project-a295c-r000
lastModified: "2022-07-08T15:52:28.502489338Z"
owner: [email protected]
qeWorkflow:
apiVersion: io.orquestra.workflow/1.0.0
dataAggregation:
resources:
cpu: "1"
disk: 10Gi
gpu: ""
memory: 2Gi
run: true
id: ""
imports:
- name: git-3d8fd6ad03_github_com_yannnbingz_madtequila_benchmark
parameters:
commit: main
repository: [email protected]:yannnbingz/madtequila-benchmark.git
type: git
- name: git-9935662e50_github_com_tequilahub_tequila
parameters:
commit: devel
repository: [email protected]:tequilahub/tequila.git
type: git
- name: __sdk_model
parameters:
commit: v0.19.0
repository: [email protected]:zapatacomputing/orquestra-workflow.git
type: git
- name: __sdk_main
parameters:
commit: v0.28.0
repository: [email protected]:zapatacomputing/orquestra-sdk.git
type: git
name: benchmarking-project-a295c-r000
steps:
- config:
persistent: false
resources:
cpu: 1000m
disk: 10Gi
gpu: ""
memory: 1Gi
runtime:
customImage: kottmanj/madness-tequila:v7
imports:
- __sdk_model
- __sdk_main
- git-3d8fd6ad03_github_com_yannnbingz_madtequila_benchmark
- git-9935662e50_github_com_tequilahub_tequila
language: python3
parameters:
file: __sdk_main/src/python/orquestra/sdk/v2/dispatch.py
function: exec_task_fn
workerType: ""
inputs:
- __sdk_fn_ref_dict:
file_path: workflow_defs.py
function_name: run_madness
line_number: 16
module: workflow_defs
type: MODULE_FUNCTION_REF
type: sdk-metadata
- __sdk_output_node_dicts:
- artifact_index: 0
custom_name: null
id: artifact-2-run-madness
serialization_format: AUTO
- artifact_index: 1
custom_name: null
id: artifact-0-run-madness
serialization_format: AUTO
- artifact_index: 2
custom_name: null
id: artifact-3-run-madness
serialization_format: AUTO
- artifact_index: 3
custom_name: null
id: artifact-4-run-madness
serialization_format: AUTO
type: sdk-metadata
- __sdk_additional_sys_paths:
- step/git-3d8fd6ad03_github_com_yannnbingz_madtequila_benchmark
type: sdk-metadata
- __sdk_positional_args_ids: []
type: sdk-metadata
- name:
serialization_format: JSON
value: '"he"'
type: workflow-result-dict
- geometry:
serialization_format: JSON
value: '"he 0.0 0.0 0.0"'
type: workflow-result-dict
- n_pno:
serialization_format: JSON
value: "2"
type: workflow-result-dict
- frozen_core:
serialization_format: JSON
value: "false"
type: workflow-result-dict
- maxrank:
serialization_format: JSON
value: "2"
type: workflow-result-dict
name: invocation-0-task-run-madness-e05e1a7b88
outputs:
- name: artifact-2-run-madness
type: workflow-result-dict
- name: artifact-0-run-madness
type: workflow-result-dict
- name: artifact-3-run-madness
type: workflow-result-dict
- name: artifact-4-run-madness
type: workflow-result-dict
passed: []
- config:
persistent: false
resources:
cpu: 5000m
disk: 15Gi
gpu: ""
memory: 5Gi
runtime:
customImage: kottmanj/madness-tequila:v7
imports:
- __sdk_model
- __sdk_main
- git-3d8fd6ad03_github_com_yannnbingz_madtequila_benchmark
- git-9935662e50_github_com_tequilahub_tequila
language: python3
parameters:
file: __sdk_main/src/python/orquestra/sdk/v2/dispatch.py
function: exec_task_fn
workerType: ""
inputs:
- __sdk_fn_ref_dict:
file_path: workflow_defs.py
function_name: compute_pyscf_energy
line_number: 59
module: workflow_defs
type: MODULE_FUNCTION_REF
type: sdk-metadata
- __sdk_output_node_dicts:
- artifact_index: null
custom_name: null
id: artifact-1-compute-pyscf-energy
serialization_format: AUTO
type: sdk-metadata
- __sdk_additional_sys_paths:
- step/git-3d8fd6ad03_github_com_yannnbingz_madtequila_benchmark
type: sdk-metadata
- __sdk_positional_args_ids:
- artifact-2-run-madness
type: sdk-metadata
- artifact-2-run-madness: ((invocation-0-task-run-madness-e05e1a7b88.artifact-2-run-madness))
type: workflow-result-dict
- method:
serialization_format: JSON
value: '"hf"'
type: workflow-result-dict
name: invocation-1-task-compute-pyscf-energy-6d2a2bd36c
outputs:
- name: artifact-1-compute-pyscf-energy
type: workflow-result-dict
passed:
- invocation-0-task-run-madness-e05e1a7b88
types:
- sdk-metadata
- workflow-result-dict
workflowTTLAfterFailed: 259200
workflowTTLAfterFinished: 1800
workflowTTLAfterSuccess: 300
retry: ""
status: Succeeded
target: argo
version: io.orquestra.workflow/1.0.0