def __init__(self, connection):
self._hostname = base.get_hostname()
self._scratch = base.get_scratch(self._hostname)
self._tmpdir = self._scratch + "/" + str(uuid.uuid4())
self._xtbpath = {
"bismuth":
"/mnt/c/Users/guido/opt/xtb/6.2.2/bin/xtb",
"alchemy":
"/home/vonrudorff/opt/xtb/xtb_6.2.2/bin/xtb",
"avl03":
"/home/grudorff/opt/xtb/xtb_6.2.2/bin/xtb",
"scicore":
"/scicore/home/lilienfeld/rudorff/opt/xtb/xtb_6.2.2/bin/xtb",
}[self._hostname]
# grid
scheme = quadpy.sphere.lebedev_031()
self._OHgrid = scheme.points.copy() * 0.97
self._CHgrid = scheme.points.copy() * 1.09
self._environments = []
number_neighbors = (
7
) # self + six neighbors (in 3d, the highest coordination with octahedral symmetry)
for point in range(len(scheme.points)):
self._environments.append(([
_ for _ in np.argpartition(
np.linalg.norm(scheme.points[point] - scheme.points,
axis=1),
number_neighbors,
)[:number_neighbors] if _ != point
]))
def __init__(self, connection):
self._hostname = base.get_hostname()
self._scratch = base.get_scratch(self._hostname)
self._tmpdir = self._scratch + "/" + str(uuid.uuid4())
self._connection = connection
self._xtbpath = {
"bismuth":
"/mnt/c/Users/guido/opt/xtb/6.2.2/bin/xtb",
"alchemy":
"/home/vonrudorff/opt/xtb/xtb_6.2.2/bin/xtb",
"avl03":
"/home/grudorff/opt/xtb/xtb_6.2.2/bin/xtb",
"scicore":
"/scicore/home/lilienfeld/rudorff/opt/xtb/xtb_6.2.2/bin/xtb",
}[self._hostname]
def handler(self, signal, frame):
self.stopped = True
guard = Guard()
signal.signal(signal.SIGINT, guard.handler)
signal.signal(signal.SIGTERM, guard.handler)
cache = {}
# identify client to server based on host
randomid = "".join(
random.choice(string.ascii_uppercase + string.digits) for _ in range(10)
)
myhost = base.get_hostname()
redis.client_setname(myhost + ":" + randomid)
while not guard.stopped:
bytecost = 0
starttime = time.time()
# fetch
jobid = redis.rpoplpush("queue", "running")
if jobid is None:
break
bytecost += 20 + len(jobid)
jobid = jobid.decode("utf-8")
try:
payload, filename = redis.hmget("job:" + jobid, "arg", "fname")
bytecost += len(payload) + len(filename) + 20
filename = filename.decode("ascii")
def __init__(self, connection):
self._hostname = base.get_hostname()
self._scratch = base.get_scratch(self._hostname)
self._tmpdir = self._scratch + "/" + str(uuid.uuid4())
CALL_INTERVAL = 5 * 60 # crontab interval in seconds
MAX_KBPS_SCICORE = 10 * 1024 / 3
# change db to 0
parts = constr.split("/")
parts[-1] = "0"
constr = "/".join(parts)
redis = Redis.from_url("redis://" + constr)
redis4 = Redis.from_url("redis://" + constr[:-1] + "4")
# check operational
if redis.get("meta:operational").decode("ascii") != "yes":
sys.exit(0)
hostname = base.get_hostname()
username = getpass.getuser()
tmpfile = "/tmp/%s.autoscaler-tmp" % username
if hostname == "scicore":
qoss = ["30min", "6hours", "1day"]
times = ["00:30:00", "06:00:00", "24:00:00"]
else:
qoss = ["noqos"]
times = ["notime"]
# bandwidth limit
local_capacity = 1e4
if hostname == "scicore":
clients = len(