|
MongoDB/launchpad accessible on login nodes but not compute nodes of HPC
|
|
3
|
276
|
October 27, 2023
|
|
Atomate2 pymongo.errors.OperationFailure
|
|
2
|
310
|
October 16, 2023
|
|
Compatibility of pymatgen.analysis.defects with atomate2
|
|
0
|
305
|
August 23, 2023
|
|
Document size to large for MongoDB
|
|
1
|
424
|
August 9, 2023
|
|
VasprunXMLValidator error in the middle of a workflow
|
|
9
|
895
|
July 28, 2023
|
|
MaxForceErrorHandler: Custodian version control issue
|
|
3
|
388
|
July 27, 2023
|
|
Specifying multiple pre_rocket lines in my_qadaptor.yaml
|
|
3
|
345
|
June 12, 2023
|
|
Magnetic ordering workflow:
|
|
6
|
461
|
June 8, 2023
|
|
Trying to run Atomate Workflows: Failure in queue_launcher.py in launch_rocket_to_queue
|
|
9
|
614
|
May 26, 2023
|
|
I need help using atomate2 on a remote cluster
|
|
0
|
537
|
March 31, 2023
|
|
Insert material project material id into final job/flow output in Atomate2
|
|
1
|
518
|
March 28, 2023
|
|
Failed to execute the example run
|
|
10
|
714
|
March 17, 2023
|
|
Proper hostname for NERSC-hosted MongoDB (Atomate2 setup)
|
|
0
|
427
|
February 3, 2023
|
|
[Atomate2] How to decode a TaskDocument from queried dictionaries?
|
|
3
|
593
|
January 28, 2023
|
|
Strange qlaunch behavior: one workflow but multiple queue jobs
|
|
2
|
509
|
January 14, 2023
|
|
How to run individual atomate analysis test starting from provided json
|
|
0
|
317
|
December 21, 2022
|
|
Possible rework for object storage in addtional stores
|
|
0
|
509
|
November 28, 2022
|
|
Proper usage of "name" field
|
|
4
|
507
|
November 28, 2022
|
|
Backfill database with historical vasp runs?
|
|
2
|
413
|
October 24, 2022
|
|
Ferroelectric analyzier jor error
|
|
4
|
441
|
June 15, 2022
|
|
How to get the data of vacuum level(many materials) by the atomate tools after calcution?
|
|
0
|
377
|
June 15, 2022
|
|
[atomate2] parsing of f orbitals in dos
|
|
2
|
515
|
May 23, 2022
|
|
Launching at directory workflow was added from
|
|
1
|
430
|
May 19, 2022
|
|
Adding meta tag for optimize task
|
|
1
|
383
|
May 19, 2022
|
|
[atomate2] restart for long running HSE jobs
|
|
0
|
478
|
May 18, 2022
|
|
Failed to load vasprun.xml
|
|
2
|
941
|
May 16, 2022
|
|
DFT relaxation of crystal structures (esp. to retrieve relaxed formation energy) achievable with atomate or atomate2 workflows?
|
|
1
|
636
|
April 1, 2022
|
|
Fireworks automatically runs Bader analysis when binary present
|
|
1
|
425
|
March 31, 2022
|
|
Running example workflow using LAMMPS
|
|
4
|
926
|
March 30, 2022
|
|
Can't run mutiple queues on one node with error : mpirun noticed .... exited on signal 15
|
|
0
|
307
|
March 3, 2022
|