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MongoDB/launchpad accessible on login nodes but not compute nodes of HPC
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3
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281
|
October 27, 2023
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Atomate2 pymongo.errors.OperationFailure
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2
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319
|
October 16, 2023
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Compatibility of pymatgen.analysis.defects with atomate2
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0
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320
|
August 23, 2023
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Document size to large for MongoDB
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1
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438
|
August 9, 2023
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VasprunXMLValidator error in the middle of a workflow
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9
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931
|
July 28, 2023
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MaxForceErrorHandler: Custodian version control issue
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3
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406
|
July 27, 2023
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Specifying multiple pre_rocket lines in my_qadaptor.yaml
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3
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357
|
June 12, 2023
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Magnetic ordering workflow:
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6
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500
|
June 8, 2023
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Trying to run Atomate Workflows: Failure in queue_launcher.py in launch_rocket_to_queue
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9
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639
|
May 26, 2023
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I need help using atomate2 on a remote cluster
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0
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545
|
March 31, 2023
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Insert material project material id into final job/flow output in Atomate2
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1
|
525
|
March 28, 2023
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Failed to execute the example run
|
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10
|
747
|
March 17, 2023
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Proper hostname for NERSC-hosted MongoDB (Atomate2 setup)
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0
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435
|
February 3, 2023
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[Atomate2] How to decode a TaskDocument from queried dictionaries?
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3
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603
|
January 28, 2023
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Strange qlaunch behavior: one workflow but multiple queue jobs
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2
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518
|
January 14, 2023
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How to run individual atomate analysis test starting from provided json
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0
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322
|
December 21, 2022
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Possible rework for object storage in addtional stores
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0
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515
|
November 28, 2022
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Proper usage of "name" field
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4
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531
|
November 28, 2022
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Backfill database with historical vasp runs?
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2
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429
|
October 24, 2022
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Ferroelectric analyzier jor error
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4
|
463
|
June 15, 2022
|
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How to get the data of vacuum level(many materials) by the atomate tools after calcution?
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0
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380
|
June 15, 2022
|
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[atomate2] parsing of f orbitals in dos
|
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2
|
525
|
May 23, 2022
|
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Launching at directory workflow was added from
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1
|
438
|
May 19, 2022
|
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Adding meta tag for optimize task
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1
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393
|
May 19, 2022
|
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[atomate2] restart for long running HSE jobs
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0
|
493
|
May 18, 2022
|
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Failed to load vasprun.xml
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|
2
|
963
|
May 16, 2022
|
|
DFT relaxation of crystal structures (esp. to retrieve relaxed formation energy) achievable with atomate or atomate2 workflows?
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1
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654
|
April 1, 2022
|
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Fireworks automatically runs Bader analysis when binary present
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|
1
|
435
|
March 31, 2022
|
|
Running example workflow using LAMMPS
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4
|
951
|
March 30, 2022
|
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Can't run mutiple queues on one node with error : mpirun noticed .... exited on signal 15
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|
0
|
314
|
March 3, 2022
|