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Thanks for your patience, Anubhav Jain
let’s talk about the last one for example:
lpad get_wflows -i 2592 -d more
{
"name": "Cu1 Gd1 Te2--2592",
"state": "FIZZLED",
"states": {
"Cu1_Gd1_Te2--Add_to_SNL_database--469": "COMPLETED",
"Cu1_Gd1_Te2--GGA_optimize_structure_(2x)--470": "COMPLETED",
"Cu1_Gd1_Te2--VASP_db_insertion--471": "COMPLETED",
"Cu1_Gd1_Te2--Controller_add_Electronic_Structure_v2--472": "COMPLETED",
"Cu1_Gd1_Te2--GGA_static_v2--2590": "COMPLETED",
"Cu1_Gd1_Te2--VASP_db_insertion--2591": "COMPLETED",
"Cu1_Gd1_Te2--GGA_Uniform_v2--2592": "WAITING",
"Cu1_Gd1_Te2--VASP_db_insertion--2593": "WAITING",
"Cu1_Gd1_Te2--GGA_band_structure_v2--2594": "WAITING",
"Cu1_Gd1_Te2--VASP_db_insertion--2595": "WAITING",
"Cu1_Gd1_Te2--GGA_Boltztrap--2596": "WAITING",
"Cu1_Gd1_Te2--GGA_static_v2--2606": "COMPLETED",
"Cu1_Gd1_Te2--VASP_db_insertion--2607": "FIZZLED"
},
"created_on": "2016-05-06T02:17:37.076000",
"launch_dirs": {
"Cu1_Gd1_Te2--Add_to_SNL_database--469": [
"/lustre/home/umjzhh-1/launcher/layered_material/ycute2/substitution_01stRun/block_2016-05-06-02-19-20-552442/launcher_2016-05-07-03-03-23-617978"
],
"Cu1_Gd1_Te2--GGA_optimize_structure_(2x)--470": [
"/lustre/home/umjzhh-1/launcher/layered_material/ycute2/substitution_01stRun/block_2016-05-06-02-19-20-552442/launcher_2016-05-07-03-03-58-948288"
],
"Cu1_Gd1_Te2--VASP_db_insertion--471": [
"/lustre/home/umjzhh-1/launcher/layered_material/ycute2/substitution_01stRun/block_2016-05-06-02-19-20-552442/launcher_2016-05-07-04-08-40-426531"
],
"Cu1_Gd1_Te2--Controller_add_Electronic_Structure_v2--472": [
"/lustre/home/umjzhh-1/launcher/layered_material/ycute2/substitution_01stRun/block_2016-05-06-02-19-20-552442/launcher_2016-05-07-04-08-50-754977"
],
"Cu1_Gd1_Te2--GGA_static_v2--2590": [
"/lustre/home/umjzhh-1/launcher/layered_material/ycute2/substitution_01stRun/block_2016-05-06-02-19-20-552442/launcher_2016-05-07-04-09-31-230718"
],
"Cu1_Gd1_Te2--VASP_db_insertion--2591": [
"/lustre/home/umjzhh-1/launcher/layered_material/ycute2/substitution_01stRun/block_2016-05-06-02-19-20-552442/launcher_2016-05-07-04-27-58-486517"
],
"Cu1_Gd1_Te2--GGA_Uniform_v2--2592": [],
"Cu1_Gd1_Te2--VASP_db_insertion--2593": [],
"Cu1_Gd1_Te2--GGA_band_structure_v2--2594": [],
"Cu1_Gd1_Te2--VASP_db_insertion--2595": [],
"Cu1_Gd1_Te2--GGA_Boltztrap--2596": [],
"Cu1_Gd1_Te2--GGA_static_v2--2606": [
"/lustre/home/umjzhh-1/launcher/layered_material/ycute2/substitution_01stRun/block_2016-05-06-02-19-20-552442/launcher_2016-05-07-04-28-33-768387"
],
"Cu1_Gd1_Te2--VASP_db_insertion--2607": [
"/lustre/home/umjzhh-1/launcher/layered_material/ycute2/substitution_01stRun/block_2016-05-06-02-19-20-552442/launcher_2016-05-10-14-01-49-524562"
]
},
"updated_on": "2016-05-10T14:01:55.656000"
}
more /lustre/home/umjzhh-1/launcher/layered_material/ycute2/substitution_01stRun/block_2016-05-06-02-19-20-552442/launcher_2016-05-07-04-28-33-768387/Cu1_Gd1_Te2--GGA_sta-16114.*
::::::::::::::
Cu1_Gd1_Te2--GGA_sta-16114.error
::::::::::::::
INFO:launchpad:Task completed: Unconverged Handler Task
INFO:launchpad:Task started: Vasp Custodian Task.
/lustre/home/umjzhh-1/kl_me2/codes/pymatgen/pymatgen/io/vasp/outputs.py:389: UnconvergedVASPWarning: vasprun.xml is an unconverged VASP run.
Electronic convergence reached: False.
Ionic convergence reached: True.
warnings.warn(msg, UnconvergedVASPWarning)
::::::::::::::
Cu1_Gd1_Te2--GGA_sta-16114.out
::::::::::::::
kl_me2 environment
2016-05-07 12:28:36,091 INFO Hostname/IP lookup (this will take a few seconds)
2016-05-07 12:28:36,094 INFO Launching Rocket
2016-05-07 12:28:38,430 DEBUG Querying for duplicates, fw_id: 2606
2016-05-07 12:28:38,441 DEBUG Verifying for duplicates, fw_ids: 2606, 2590
2016-05-07 12:28:38,448 DEBUG Verifying for duplicates, fw_ids: 2606, 2606
2016-05-07 12:28:38,464 DEBUG FW with id: 2606 is unique!
2016-05-07 12:28:38,467 DEBUG Created/updated Launch with launch_id: 1230
2016-05-07 12:28:38,505 DEBUG Checked out FW with id: 2606
2016-05-07 12:28:38,515 INFO RUNNING fw_id: 2606 in directory: /lustre/home/umjzhh-1/launcher/layered_material/ycute2/substitution_01stRun/block_2016-05-06-02-19-20-552442/launc
her_2016-05-07-04-28-33-768387
2016-05-07 12:28:38,526 INFO Task started: Vasp Copy Task.
COPYING /lustre/home/umjzhh-1/launcher/layered_material/ycute2/substitution_01stRun/block_2016-05-06-02-19-20-552442/launcher_2016-05-07-04-09-31-230718/INCAR.gz INCAR.gz
COPYING /lustre/home/umjzhh-1/launcher/layered_material/ycute2/substitution_01stRun/block_2016-05-06-02-19-20-552442/launcher_2016-05-07-04-09-31-230718/KPOINTS.gz KPOINTS.gz
COPYING /lustre/home/umjzhh-1/launcher/layered_material/ycute2/substitution_01stRun/block_2016-05-06-02-19-20-552442/launcher_2016-05-07-04-09-31-230718/POSCAR.gz POSCAR.gz
COPYING /lustre/home/umjzhh-1/launcher/layered_material/ycute2/substitution_01stRun/block_2016-05-06-02-19-20-552442/launcher_2016-05-07-04-09-31-230718/POTCAR.gz POTCAR.gz
COPYING /lustre/home/umjzhh-1/launcher/layered_material/ycute2/substitution_01stRun/block_2016-05-06-02-19-20-552442/launcher_2016-05-07-04-09-31-230718/CONTCAR.gz CONTCAR.gz
2016-05-07 12:28:38,625 INFO Task completed: Vasp Copy Task
2016-05-07 12:28:38,625 INFO Task started: Unconverged Handler Task.
2016-05-07 12:28:38,719 INFO Task completed: Unconverged Handler Task
2016-05-07 12:28:38,721 INFO Task started: Vasp Custodian Task.
(/lustre/home/umjzhh-1/kl_me2/virtenv_kl_me2)[umjzhh-1@mu06 launcher_2016-05-07-04-28-33-768387]$ more /lustre/home/umjzhh-1/launcher/layered_material/ycute2/substitution_01stRun/block_2016-05-06-02-19-20-552442/launcher_2016-05-07-04-28-33-768387/Cu1_Gd1_Te2--GGA_sta-16114.*
::::::::::::::
/lustre/home/umjzhh-1/launcher/layered_material/ycute2/substitution_01stRun/block_2016-05-06-02-19-20-552442/launcher_2016-05-07-04-28-33-768387/Cu1_Gd1_Te2--GGA_sta-16114.error
::::::::::::::
INFO:launchpad:Task completed: Unconverged Handler Task
INFO:launchpad:Task started: Vasp Custodian Task.
/lustre/home/umjzhh-1/kl_me2/codes/pymatgen/pymatgen/io/vasp/outputs.py:389: UnconvergedVASPWarning: vasprun.xml is an unconverged VASP run.
Electronic convergence reached: False.
Ionic convergence reached: True.
warnings.warn(msg, UnconvergedVASPWarning)
:::::::::::::
/lustre/home/umjzhh-1/launcher/layered_material/ycute2/substitution_01stRun/block_2016-05-06-02-19-20-552442/launcher_2016-05-07-04-28-33-768387/Cu1_Gd1_Te2--GGA_sta-16114.out
::::::::::::::
kl_me2 environment
2016-05-07 12:28:36,091 INFO Hostname/IP lookup (this will take a few seconds)
2016-05-07 12:28:36,094 INFO Launching Rocket
2016-05-07 12:28:38,430 DEBUG Querying for duplicates, fw_id: 2606
2016-05-07 12:28:38,441 DEBUG Verifying for duplicates, fw_ids: 2606, 2590
2016-05-07 12:28:38,448 DEBUG Verifying for duplicates, fw_ids: 2606, 2606
2016-05-07 12:28:38,464 DEBUG FW with id: 2606 is unique!
2016-05-07 12:28:38,467 DEBUG Created/updated Launch with launch_id: 1230
2016-05-07 12:28:38,505 DEBUG Checked out FW with id: 2606
2016-05-07 12:28:38,515 INFO RUNNING fw_id: 2606 in directory: /lustre/home/umjzhh-1/launcher/layered_material/ycute2/substitution_01stRun/block_2016-05-06-02-19-20-552442/launc
her_2016-05-07-04-28-33-768387
2016-05-07 12:28:38,526 INFO Task started: Vasp Copy Task.
COPYING /lustre/home/umjzhh-1/launcher/layered_material/ycute2/substitution_01stRun/block_2016-05-06-02-19-20-552442/launcher_2016-05-07-04-09-31-230718/INCAR.gz INCAR.gz
COPYING /lustre/home/umjzhh-1/launcher/layered_material/ycute2/substitution_01stRun/block_2016-05-06-02-19-20-552442/launcher_2016-05-07-04-09-31-230718/KPOINTS.gz KPOINTS.gz
COPYING /lustre/home/umjzhh-1/launcher/layered_material/ycute2/substitution_01stRun/block_2016-05-06-02-19-20-552442/launcher_2016-05-07-04-09-31-230718/POSCAR.gz POSCAR.gz
COPYING /lustre/home/umjzhh-1/launcher/layered_material/ycute2/substitution_01stRun/block_2016-05-06-02-19-20-552442/launcher_2016-05-07-04-09-31-230718/POTCAR.gz POTCAR.gz
COPYING /lustre/home/umjzhh-1/launcher/layered_material/ycute2/substitution_01stRun/block_2016-05-06-02-19-20-552442/launcher_2016-05-07-04-09-31-230718/CONTCAR.gz CONTCAR.gz
2016-05-07 12:28:38,625 INFO Task completed: Vasp Copy Task
2016-05-07 12:28:38,625 INFO Task started: Unconverged Handler Task.
2016-05-07 12:28:38,719 INFO Task completed: Unconverged Handler Task
2016-05-07 12:28:38,721 INFO Task started: Vasp Custodian Task.
在 2016年5月11日星期三 UTC+8上午12:28:47,Anubhav Jain写道: