jarvis.tasks.qe.master_super

Run multiple jobs.

Module Contents

Functions

get_jid_data(jid='JVASP-667', dataset='dft_2d')

Get info for a jid and dataset.

non_prime_kpoints(kpts=[])

Get non prime kpoints.

write_qejob(pyname='job.py', job_json='')

Write template job.py with VaspJob.to_dict() job.json.

Attributes

my_data

qe_cmd

run_dir

submit_job

jids

dir_name

jarvis.tasks.qe.master_super.my_data
jarvis.tasks.qe.master_super.get_jid_data(jid='JVASP-667', dataset='dft_2d')[source]

Get info for a jid and dataset.

jarvis.tasks.qe.master_super.qe_cmd = mpirun -np 16 /home/kfg/codes/q-e-qe-6.5/bin/pw.x
jarvis.tasks.qe.master_super.run_dir = /wrk/knc6/Super
jarvis.tasks.qe.master_super.non_prime_kpoints(kpts=[])[source]

Get non prime kpoints.

jarvis.tasks.qe.master_super.write_qejob(pyname='job.py', job_json='')[source]

Write template job.py with VaspJob.to_dict() job.json.

jarvis.tasks.qe.master_super.submit_job = True
jarvis.tasks.qe.master_super.jids = ['JVASP-19821']
jarvis.tasks.qe.master_super.dir_name