def saveResults(jobID, cell, pos, magmom, e0, b, bFit, xc, t, nIter):
result = BulkResult(
jobID, cell, pos, magmom, e0, b, bFit, xc, t, nIter
) #lattice constants determined downstream, depending on structure'
if rank() == 0:
insertObject(result)
with open("result.json", "w") as f:
print >> f, result.toJSON()
updateStatus(jobID, 'running', 'completed')
def archiveFizzled():
updateFizzled()
fizzled = [lpadIDjob(x) for x in getStatus("FIZZLED")]
for f in fizzled:
err = f.err()
if err is None:
updateDB('error', 'jobid', f.jobid, 'TIMEOUT', None, 'job')
updateStatus(f.jobid, 'fizzled', 'archived')
lpad.archive_wf(f.id)
elif any([x in err for x in archiveErrors]):
updateDB('error', 'jobid', f.jobid, err, None, 'job')
updateStatus(f.jobid, 'fizzled', 'archived')
lpad.archive_wf(f.id)
def auth(sid, data):
# decrypting data
keys = db.getKeys()
data['status'] = func.decrypt(keys['privKey'], unhexlify(data['status']))
data['time'] = func.decrypt(keys['privKey'], unhexlify(data['time']))
# update status
db.updateStatus(data['devId'], data['status'])
# encrypting data
deviceInfo = db.getDeviceInfo(str(data['devId']))
data['status'] = hexlify(
func.encrypt(str(deviceInfo['pubKey']), data['status']))
data['time'] = hexlify(
func.encrypt(str(deviceInfo['pubKey']), data['time']))
sio.emit(str(data['devId']), data)
def submit(self):
from fireworks import LaunchPad, Firework, Workflow
from standardScripts import RelaxSurface, GetSurfaceXCcontribs, SaveSurfResults
launchpad = LaunchPad(host='suncatls2.slac.stanford.edu',
name='krisbrown',
username='******',
password='******')
names = [
x + '_%d' % self.ID for x in
['RelaxSurface', 'GetSurfaceXCcontribs', 'SaveSurfaceResults']
]
clusters = self.allocate()
timestamp = '_' + datetime.now().strftime('%Y_%m_%d_%H_%M')
fw1 = Firework(
[RelaxSurface()],
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('relaxsurface')),
"_launch_dir": clusters[0].launchdir + names[0] + timestamp
})
fw2 = Firework(
[GetSurfaceXCcontribs()],
name=names[1],
parents=[fw1],
spec={
"jobID":
self.ID,
'_fworker':
clusters[1].fworker,
"_pass_job_info":
True,
"_files_in": {
"fw1": "inp.gpw"
},
"_queueadapter":
clusters[1].qfunc(self.guessTime('getsurfacexccontribs')),
"_launch_dir":
clusters[1].launchdir + names[1] + timestamp
})
fw3 = Firework(
[SaveSurfResults()],
name=names[2],
parents=[fw1, fw2],
spec={
"jobID":
self.ID,
'_fworker':
clusters[2].fworker #MUST be sherlock
,
"_queueadapter":
clusters[2].qfunc(self.guessTime('savesurfaceresults')),
"_launch_dir":
clusters[2].launchdir + names[2] + timestamp
})
wflow = Workflow([fw1, fw2, fw3],
name='SurfaceRelaxation_%d' % self.ID)
print "Submitting job with ID = %d" % self.ID
updateStatus('surfacejob', self.ID, 'initialized', 'queued')
launchpad.add_wf(wflow)
import os
from db import updateStatus, query1, updateDB
root = '/scratch/users/ksb/db/jobs'
for d in os.listdir(root):
try:
print 'trying ', d
with open('/scratch/users/ksb/db/jobs/' + d + '/myjob.err', 'r') as f:
err = f.read()
if 'TIME LIMIT' in err:
if query1('bulkjob', 'status', 'id', d) is not 'failed':
updateStatus(int(d), 'running', 'timeout')
elif 'CANCELLED AT' in err:
updateDB('bulkjob', 'status', 'id', int(d), 'cancelled')
except IOError:
pass
def updateFizzled():
for fw in [lpadIDjob(x) for x in getStatus('FIZZLED')]:
if query1('status', 'jobid', fw.jobid, 'job') != 'fizzled':
updateStatus(fw.jobid, 'queued', 'fizzled')