Thank you so much for your response! I got the vasp to run, and it had to do with how I tunnel from my database to my localhost. However, the job still doesn't finish. Now I am doing an elastic constant calculation.
1. The SLURM job says it's COMPLETED, but the state of my Fireworks is FIZZLED.
2. Here is my the error message I got in my FW_job.error:
ERROR:custodian.custodian:
{ 'actions': [ { 'action': { '_set': { 'ALGO': 'Normal'}},
'dict': 'INCAR'}],
'errors': [ 'Positive '
'energy'],
'handler': <custodian.vasp.handlers.PositiveEnergyErrorHandler object at 0x2b4687887780>}
ERROR:custodian.custodian:
{ 'actions': [ { 'action': { '_set': { 'IBRION': 3,
'SMASS': 0.75}},
'dict': 'INCAR'}],
'errors': [ 'POTIM'],
'handler': <custodian.vasp.handlers.PotimErrorHandler object at 0x2b4687887da0>}
ERROR:custodian.custodian:
{ 'actions': None,
'errors': [ 'Positive '
'energy'],
'handler': <custodian.vasp.handlers.PositiveEnergyErrorHandler object at 0x2b4687887780>}
ERROR:custodian.custodian:Unrecoverable error for handler: <custodian.vasp.handlers.PositiveEnergyErrorHandler object at 0x2b
Traceback (most recent call last):
File "/n/home02/zzhu/.conda/envs/atomate_env/lib/python3.6/site-packages/custodian/custodian.py", line 320, in run
self._run_job(job_n, job)
File "/n/home02/zzhu/.conda/envs/atomate_env/lib/python3.6/site-packages/custodian/custodian.py", line 446, in _run_job
raise CustodianError(s, True, x["handler"])
custodian.custodian.CustodianError: (CustodianError(...), 'Unrecoverable error for handler: <custodian.vasp.handlers.Positive
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "/n/home02/zzhu/atomate/codes/fireworks/fireworks/core/rocket.py", line 262, in run
m_action = t.run_task(my_spec)
File "/n/home02/zzhu/atomate/codes/atomate/atomate/vasp/firetasks/run_calc.py", line 205, in run_task
c.run()
File "/n/home02/zzhu/.conda/envs/atomate_env/lib/python3.6/site-packages/custodian/custodian.py", line 330, in run
.format(self.total_errors, ex))
RuntimeError: 5 errors reached: (CustodianError(...), 'Unrecoverable error for handler: <custodian.vasp.handlers.PositiveEner
INFO:rocket.launcher:Rocket finished
2019-04-09 16:39:04,330 INFO Hostname/IP lookup (this will take a few seconds)
2019-04-09 16:39:18,399 INFO Created new dir /n/home02/zzhu/atomate/testruns/elastic/launcher_2019-04-09-20-39-18-392015
2019-04-09 16:39:18,404 INFO Launching Rocket
2019-04-09 16:39:19,786 INFO RUNNING fw_id: 30 in directory: /n/home02/zzhu/atomate/testruns/elastic/launcher_2019-04-09-20-3
2019-04-09 16:39:20,607 INFO Task started: FileWriteTask.
2019-04-09 16:39:20,619 INFO Task completed: FileWriteTask
2019-04-09 16:39:20,791 INFO Task started: {{atomate.vasp.firetasks.write_inputs.WriteVaspFromIOSet}}.
2019-04-09 16:39:20,867 INFO Task completed: {{atomate.vasp.firetasks.write_inputs.WriteVaspFromIOSet}}
2019-04-09 16:39:21,039 INFO Task started: {{atomate.vasp.firetasks.run_calc.RunVaspCustodian}}.
2019-04-09 19:55:16,512 INFO Rocket finished
3. Here are my config files:
Best.