def main():
# set up the LaunchPad and reset it
launchpad = LaunchPad()
launchpad.reset('', require_password=False)
# Build the flow
nflows = 2
for i in range(nflows):
flow = build_flow("flow_" + str(i))
flow.build_and_pickle_dump()
# create the Firework consisting of a single task
firework = Firework(FireTaskWithFlow(flow=flow))
# store workflow
launchpad.add_wf(firework)
#launch it locally
#launch_rocket(launchpad)
return 0
"""
This code is described in the Introductory tutorial, https://materialsproject.github.io/fireworks/introduction.html
"""
from fireworks import Firework, LaunchPad, ScriptTask
from fireworks.core.rocket_launcher import launch_rocket
if __name__ == "__main__":
# set up the LaunchPad and reset it
launchpad = LaunchPad()
# launchpad.reset('', require_password=False)
# create the Firework consisting of a single task
firetask = ScriptTask.from_str('echo "howdy, your job launched successfully!"')
firework = Firework(firetask)
# store workflow and launch it locally
launchpad.add_wf(firework)
launch_rocket(launchpad)
from fireworks import LaunchPad, Firework, Workflow
from fireworks.core.rocket_launcher import launch_rocket
from fireworks.examples.custom_firetasks.hello_world.hello_world_task import HelloTask
if __name__ == "__main__":
# initialize the database
lp = LaunchPad() # you might need to modify the connection settings here
# lp.reset() # uncomment this line and set the appropriate parameters if you want to reset the database
# create the workflow and store it in the database
my_fw = Firework([HelloTask()])
my_wflow = Workflow.from_Firework(my_fw)
lp.add_wf(my_wflow)
# run the workflow
launch_rocket(lp)
#==============================================================================
if __name__ == '__main__':
import argparse
parser = argparse.ArgumentParser(
description='Demonstrates Fireworks workflows on OLCF resources.')
parser.add_argument('--reset', action='store_true',
help='Reset the database.')
parser.add_argument('-p', '--push-wf', dest='push_wf', action='store_true',
help='Push demo workflow to DB.')
parser.add_argument('-b', '--block', action='store_true',
help='Create a new output block.')
parser.add_argument('-u', '--update-only', action='store_true',
help='Update the DB, but do not process jobs.')
parser.add_argument('-d', '--daemon-mode', action='store_true',
help='Update the DB, but do not process jobs.')
args = parser.parse_args()
if args.reset:
launchpad.reset('', require_password=False)
if args.push_wf:
launchpad.add_wf(workflow)
if args.block:
from fireworks.utilities.fw_utilities import create_datestamp_dir
create_datestamp_dir(out_dir, launchpad.m_logger)
if not args.update_only:
process_offline(launchpad, launcher_args, args.daemon_mode)
Returns:
(Workflow): A workflow containing one FireWork (two FireTasks) which
is automatically set up to run the optimization loop.
"""
spec = {'_x': x}
# ObjectiveFuncTask writes _y field to the spec internally.
firework1 = Firework([ObjectiveFuncTask(), OptTask(**db_info)], spec=spec)
return Workflow([firework1])
if __name__ == "__main__":
# Make a MissionControl object
mc = MissionControl(**db_info)
# Reset the launchpad and optimization db for this example
launchpad.reset(password=None, require_password=False)
mc.reset(hard=True)
# Configure the optimization db with MissionControl
mc.configure(wf_creator=wf_creator, dimensions=x_dim)
# Run the optimization loop 10 times.
launchpad.add_wf(wf_creator([5, 5, 2]))
rapidfire(launchpad, nlaunches=10, sleep_time=0)
# Examine results
plt = mc.plot()
plt.show()
"""
fin_len = x[0]
fin_angle = x[1]
useful_feature1 = fin_len + fin_angle ** 2
useful_feature2 = fin_angle + fin_len
return x + [useful_feature1, useful_feature2]
if __name__ == "__main__":
# Make a MissionControl object
mc = MissionControl(**db_info)
# Reset the launchpad and optimization db for this example
launchpad.reset(password=None, require_password=False)
mc.reset(hard=True)
# Configure the optimization db with MissionControl
mc.configure(wf_creator=wf_creator,
dimensions=x_dim,
acq="maximin",
predictor="GaussianProcessRegressor",
get_z=get_z)
# Run 30 workflows + optimization
launchpad.add_wf(wf_creator([100, 45.0, "dolphin fin"]))
rapidfire(launchpad, nlaunches=30)
# Examine and plot the optimization
plt = mc.plot(print_pareto=True)
plt.show()
"""
This code is described in the Firetasks tutorial,
https://materialsproject.github.io/fireworks/firetask_tutorial.html
"""
from fireworks import Firework, FWorker, LaunchPad
from fireworks.core.rocket_launcher import launch_rocket
from fw_tutorials.firetask.addition_task import AdditionTask
if __name__ == "__main__":
# set up the LaunchPad and reset it
launchpad = LaunchPad()
# launchpad.reset('', require_password=False)
# create the Firework consisting of a custom "Addition" task
firework = Firework(AdditionTask(), spec={"input_array": [1, 2]})
# store workflow and launch it locally
launchpad.add_wf(firework)
launch_rocket(launchpad, FWorker())
firework1 = Firework([
CalculateTask(),
OptTask(wf_creator='turboworks_examples.test_categorical.wf_creator',
dimensions=fw1_dim,
get_z='turboworks_examples.test_categorical.get_z',
duplicate_check=True,
opt_label="opt_categorical")
],
spec=fw1_spec)
return Workflow([firework1])
def get_z(x):
if x[1] == 1:
cat = "tiger"
else:
cat = "lion"
return [x[0]**2, cat]
if __name__ == "__main__":
TESTDB_NAME = 'turboworks'
launchpad = LaunchPad(name=TESTDB_NAME)
launchpad.reset(password=None, require_password=False)
launchpad.add_wf(wf_creator([1, 1, 2, "red"]))
rapidfire(launchpad, nlaunches=23, sleep_time=0)
# tear down database
# launchpad.connection.drop_database(TESTDB_NAME)
Contributors
'''
import modena
from fireworks import Firework, Workflow, LaunchPad
from fireworks.core.rocket_launcher import rapidfire
from modulefinder import ModuleFinder
from modena.Strategy import BackwardMappingScriptTask
import os
# Source code in src/twoTanksMacroscopicProblem.C
SIMULATION = BackwardMappingScriptTask(
script='../run.sh'
)
# set up the LaunchPad and reset it
launchpad = LaunchPad()
launchpad.reset('', require_password=False)
# create the individual FireWorks and Workflow
# Source code in src/twoTanksMacroscopicProblem.C
wf = Workflow([Firework(SIMULATION)], {}, name="simulation")
# store workflow and launch it locally
launchpad.add_wf(wf)
rapidfire(launchpad)
def submit(self):
from fireworks import LaunchPad, Firework, Workflow, PyTask
from standardScripts import OptimizeLattice, GetBulkModulus, GetXCcontribs, SaveResults
launchpad = LaunchPad(host='suncatls2.slac.stanford.edu',
name='krisbrown',
username='******',
password='******')
names = [
x + '_%d' % self.ID for x in [
'OptimizeLattice', 'GetBulkModulus', 'GetXCcontribs',
'SaveResults'
]
]
clusters = self.allocate() #
timestamp = '_' + datetime.now().strftime('%Y_%m_%d_%H_%M')
fw1 = Firework(
[OptimizeLattice()],
name=names[0],
spec={
"jobID":
self.ID,
'_fworker':
clusters[0].fworker,
"_pass_job_info":
True,
"_files_out": {
"fw1": "inp.gpw"
},
"_queueadapter":
clusters[0].qfunc(self.guessTime('optimizelattice')),
"_launch_dir":
clusters[0].launchdir + names[0] + timestamp
})
fw2 = Firework(
[GetBulkModulus()],
name=names[1],
parents=[fw1],
spec={
"jobID":
self.ID,
'_fworker':
clusters[1].fworker,
"_pass_job_info":
True,
"_queueadapter":
clusters[1].qfunc(self.guessTime('getbulkmodulus')),
"_launch_dir":
clusters[1].launchdir + names[1] + timestamp
})
fw3 = Firework(
[GetXCcontribs()],
name=names[2],
parents=[fw1],
spec={
"jobID": self.ID,
'_fworker': clusters[2].fworker,
"_pass_job_info": True,
"_files_in": {
"fw1": "inp.gpw"
},
"_queueadapter":
clusters[2].qfunc(self.guessTime('getxccontribs')),
"_launch_dir": clusters[2].launchdir + names[2] + timestamp
})
fw4 = Firework(
[SaveResults()],
name=names[3],
parents=[fw1, fw2, fw3],
spec={
"jobID": self.ID,
'_fworker': clusters[3].fworker #MUST be sherlock
,
"_queueadapter":
clusters[3].qfunc(self.guessTime('saveresults')),
"_launch_dir": clusters[3].launchdir + names[3] + timestamp
})
wflow = Workflow([fw1, fw2, fw3, fw4],
name='BulkRelaxation_%d' % self.ID)
print "Submitting job with ID = %d" % self.ID
updateStatus('bulkjob', self.ID, 'initialized', 'queued')
launchpad.add_wf(wflow)
def run_workflows():
TESTDB_NAME = 'rsled'
launchpad = LaunchPad(name=TESTDB_NAME)
launchpad.reset(password=None, require_password=False)
launchpad.add_wf(wf_creator([5, 5, 2]))
rapidfire(launchpad, nlaunches=10, sleep_time=0)
fin_angle = x[1]
useful_feature1 = fin_len + fin_angle**2
useful_feature2 = fin_angle + fin_len
return x + [useful_feature1, useful_feature2]
if __name__ == "__main__":
# Make a MissionControl object
mc = MissionControl(**db_info)
# Reset the launchpad and optimization db for this example
launchpad.reset(password=None, require_password=False)
mc.reset(hard=True)
# Configure the optimization db with MissionControl
mc.configure(
wf_creator=wf_creator,
dimensions=x_dim,
acq="maximin",
predictor="GaussianProcessRegressor",
get_z=get_z,
)
# Run 30 workflows + optimization
launchpad.add_wf(wf_creator([100, 45.0, "dolphin fin"]))
rapidfire(launchpad, nlaunches=30)
# Examine and plot the optimization
plt = mc.plot(print_pareto=True)
plt.show()
Returns:
(Workflow): A workflow containing one FireWork (two FireTasks) which
is automatically set up to run the optimization loop.
"""
spec = {"_x": x}
# ObjectiveFuncTask writes _y field to the spec internally.
firework1 = Firework([ObjectiveFuncTask(), OptTask(**db_info)], spec=spec)
return Workflow([firework1])
if __name__ == "__main__":
# Make a MissionControl object
mc = MissionControl(**db_info)
# Reset the launchpad and optimization db for this example
launchpad.reset(password=None, require_password=False)
mc.reset(hard=True)
# Configure the optimization db with MissionControl
mc.configure(wf_creator=wf_creator, dimensions=x_dim)
# Run the optimization loop 10 times.
launchpad.add_wf(wf_creator([5, 5, 2]))
rapidfire(launchpad, nlaunches=10, sleep_time=0)
# Examine results
plt = mc.plot()
plt.show()
from fireworks import LaunchPad, Firework, Workflow
from fireworks.core.rocket_launcher import launch_rocket
from fireworks.examples.custom_firetasks.hello_world.hello_world_task import HelloTask
if __name__ == "__main__":
# initialize the database
lp = LaunchPad() # you might need to modify the connection settings here
# lp.reset() # uncomment this line and set the appropriate parameters if you want to reset the database
# create the workflow and store it in the database
my_fw = Firework([HelloTask()])
my_wflow = Workflow.from_Firework(my_fw)
lp.add_wf(my_wflow)
# run the workflow
launch_rocket(lp)
from fireworks import Firework, Workflow, LaunchPad, ScriptTask
from fireworks.core.rocket_launcher import rapidfire
# set up the LaunchPad and reset it
launchpad = LaunchPad()
launchpad.reset('', require_password=False)
# create the individual FireWorks and Workflow
fw1 = Firework(ScriptTask.from_str('echo "hello"'), name="hello")
fw2 = Firework(ScriptTask.from_str('echo "goodbye"'), name="goodbye", parents=[fw1,])
wf = Workflow([fw1, fw2], name="test workflow")
# store workflow and launch it locally
launchpad.add_wf(wf)
rapidfire(launchpad)
db = connect('A_ads_slab.db')
for i, d in enumerate(db.select()):
#if i != 0:
# continue
slab = d.toatoms()
kvp = d.key_value_pairs
kvp['metal'] = slab.get_chemical_symbols()[0]
param = d.data
slab.info = param
# Encode the atoms
encoding = atoms_to_encode(slab)
# Define some searching keys
omit_key = ['facet', 'layer', 'vacuum']
kvp_sk = {a: b for a, b in kvp.items() if a not in omit_key}
search_keys = {'calc': kvp_sk}
# Two steps - write the input structure to an input file, then relax
t0 = PyTask(func='qescripts.fwio.encode_to_atoms', args=[encoding])
t1 = PyTask(func='qescripts.fwespresso.get_potential_energy',
stored_data_varname='trajectory')
# Package the tasks into a firework, the fireworks into a workflow,
# and submit the workflow to the launchpad
firework = Firework([t0, t1], spec={'_priority': 1}, name=search_keys)
workflow = Workflow([firework])
launchpad.add_wf(workflow)
def processfile(runfile):
"""Function to process testopia run yaml file and create workflows, add them
to run in fireworks"""
with open(runfile, 'r') as f:
run_details = yaml.load(f)
testcases = run_details['test_run']['cases']
print 'testcases:\n'
print testcases
testcasetype = type(testcases)
print testcasetype
run_id = int(run_details['test_run']['run_id'])
print run_id
environment_id = int(run_details['test_run']['environment_id'])
print environment_id
tcms = Testopia.from_config('/var/dt/tf/etc/testopia.cfg')
environment_details = tcms.environment_get(environment_id)
print environment_details
rundetailsfromtcms = tcms.testrun_get(run_id)
product_version = rundetailsfromtcms['product_version']
build_id = rundetailsfromtcms['build_id']
buildinfo = tcms.build_get(build_id)
print buildinfo
build_name = buildinfo['name']
print "build name: " + build_name
print "product_version " + product_version
environment_name = environment_details['name']
print environment_name
environment_file = '/var/dt/tf/etc/environments/' + environment_name + '.py'
environment_filepyc = environment_file + 'c'
if os.path.isfile(environment_filepyc):
print "environment pyc file is present, deleting it"
os.remove(environment_filepyc)
else:
print "No cached environment pyc file found"
print environment_file
testsonfire = []
fwsequence = {}
fwkey = ''
fwvalue = ''
for testcase in testcases.keys():
case_id = int(testcase)
testcase_name = run_details['test_run']['cases'][testcase]['summary']
argsf = [
run_id, case_id, build_id, environment_id, environment_name,
environment_file, testcase_name, product_version, build_name
]
fw_test = Firework(PyTask(func='HookFW.runCase', args=argsf))
print "argsf are:"
print argsf
testsonfire.append(fw_test)
if fwvalue:
fwsequence[fwvalue] = fw_test
fwvalue = fw_test
else:
fwvalue = fw_test
#To be run as last firework in the workflow, to compile logs for the entire set of testcases
rebotcmd = "cd /var/dt/tf/logs/" + str(
run_id
) + '; rebot -N "DTTF" -R */*.xml; ln -s report.html index.html; echo ok '
fw_test = Firework(ScriptTask.from_str(rebotcmd))
testsonfire.append(fw_test)
fwsequence[fwvalue] = fw_test
print "tests on fire:"
print testsonfire
print "test sequence:"
print fwsequence
workflow = Workflow(testsonfire, fwsequence)
launchpad = LaunchPad()
launchpad.add_wf(workflow)
