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General Workflows

[fireworks]
name = example_run
config_dir: "~/.fireworks"
tasks2queue = ["vibes.relaxation.bfgs.relax", "vibes.fireworks.tasks.calculate_wrapper.wrap_calc_socket", "vibes.k_grid.converge_kgrid.converge_kgrid", "vibes.fireworks.tasks.calculate_wrapper.wrap_calculate", "vibes.fireworks.tasks.md.run" ]

[fireworks.workdir]
remote = "test_run/"
local   = "test_run/"

[fireworks.remote]
host = ["remote.host.path"]
config_dir = ["/path/to/remote/home/.fireworks/"]
launch_dir = "."

[fireworks.remote.authorization]
user = remote_username
password = null

[fireworks.remote.launch]
njobs_queue = 0
njobs_block = 500
reserve = True
nlaunches = 0
sleep_time = 60

Sections#

[fireworks]#

General parameters for the FireWorks workflows

name#

str: The name that will be perpended the workflow to better organize the LaunchPad

config_dir#

str: Directory where FireWorks configuration file are located (Default set in .fireworksrc file)

tasks2queue#

list(str): List of functions to send to the queue (Default set in .fireworksrc file)

[fireworks.workdir]#

These are used to define the base working directory on remote and local machines

local#

str: Base working directory on your local machine

remote#

str: Base working directory on a remote directory (Default is fireworks.workdir.local)

[fireworks.remote]#

Parameters for remote FireWorks workers (Default defined in .fireworksrc)

host#

list(str): List of remote hosts to send jobs to (Default defined in .fireworksrc)

config_dir#

list(str): List of remote FireWorks configuration directories (Default defined in .fireworksrc)

launch_dir#

str: Default launch directory on the remote host (Default defined in .fireworksrc)

[fireworks.remote.authorization]#

Parameters for authentication remote FireWorks workers (Default defined in .fireworksrc)

user#

str: remote host username (Default defined in .fireworksrc)

password#

str: remote host password (not recommended) (Default defined in .fireworksrc)

[fireworks.remote.launch]#

Parameters for launching jobs on FireWorks workers (Default defined in .fireworksrc)

njobs_queue#

int: number of jobs to have on the queue at any given time (0 no limit) (Default defined in .fireworksrc)

njobs_block#

int: number of launches to have in a single FireWorks block directory (Default defined in .fireworksrc)

reserve#

bool: If True run FireWorks in reservation mode (Default defined in .fireworksrc)

nlaunches#

int: Maximum number of jobs to launch at any given (0 no limit) (Default defined in .fireworksrc)

sleep_time#

float: Time to sleep in seconds between checking for jobs to run (Default defined in .fireworksrc)