Dear Fireworks Community
I am trying to run fireworks on the queue, when i use rapidfire from fireworks.core.rocket_launcher it starts properly and prepare the files (and even finsh for small calculation)… but I am using SLURM queue system, so it will not work properly.
when I use fireworks.queue.queue_launcher to import rapidfire, launch_rocket_to_queue…
it starts submitting jobs, but there are no VASP files prepared in the block, and the Error in vasp.log is : Error reading item ‘VCAIMAGES’ from file INCAR. (no INCAR availble)
I am try this example :
# Create a bandstructure from the workflow from the atomate presets import numpy as np from pymatgen import Structure from fireworks import LaunchPad from atomate.vasp.workflows.presets.core import wf_bandstructure from atomate.vasp.powerups import add_modify_incar # load structure from file struct = Structure.from_file('POSCAR') # note: many file formats supported, see function docs # create the Workflow wf = wf_bandstructure(struct) # finally, instatiate the LaunchPad and add the workflow to it lpad = LaunchPad.auto_load() # loads this based on the FireWorks configuration lpad.add_wf(wf)
anyone had this problem before.
Thank you and best regards.