def __init__(self, new=False):
"""
description will contain the description of the cluster and code version and compilation
data will contain the actual data
"""
self.description = get_description(self.code)
if new:
if not self.description.read_from_file():
print('desctipion found, create it from template please:')
if not self.description.create_interactively_from_template():
raise RuntimeError
try:
self.col = get_collection(collection=self.code+"-"+self.version)
except pymongo.errors.OperationFailure:
print("pymongo operation failure, no DB support")
self.data = {}
self.ncpus = []
self.gh = []
self.systems = []
self.data = {}
def __init__(self, new=False):
"""
description will contain the description of the cluster and code version and compilation
data will contain the actual data
"""
self.description = get_description(self.code)
if new:
if not self.description.read_from_file():
print('desctipion found, create it from template please:')
if not self.description.create_interactively_from_template():
raise RuntimeError
try:
self.col = get_collection(collection=self.code + "-" +
self.version)
except pymongo.errors.OperationFailure:
print("pymongo operation failure, no DB support")
self.data = {}
self.ncpus = []
self.gh = []
self.systems = []
self.data = {}
def get_from_db(self, dh=None):
if dh == None:
"""
no description hash specified: create a list of all gh available and let the user pick one
"""
data_sets = self.col.find()
i = 0
hash_list = []
for data_set in data_sets:
print("set %s:" % i)
hash_list.append(data_set['desc_hash'])
desc = get_description(self.code)
desc.from_db_entry(data_set)
print(desc)
i += 1
dh = hash_list[int(raw_input('Which set should be imported?\n'))]
print(dh)
entry = self.col.find({'desc_hash': dh})[0]
#pprint.pprint(entry)
self.data = entry['data']
self.description.from_db_entry(entry)
print(self.description)
def get_from_db(self, dh=None):
if dh == None:
"""
no description hash specified: create a list of all gh available and let the user pick one
"""
data_sets = self.col.find()
i = 0
hash_list = []
for data_set in data_sets:
print("set %s:" % i)
hash_list.append(data_set['desc_hash'])
desc = get_description(self.code)
desc.from_db_entry(data_set)
print(desc)
i += 1
dh = hash_list[int(raw_input('Which set should be imported?\n'))]
print(dh)
entry = self.col.find({'desc_hash': dh})[0]
#pprint.pprint(entry)
self.data = entry['data']
self.description.from_db_entry(entry)
print(self.description)
from __future__ import print_function, division
__author__ = 'setten'
__version__ = "0.1"
__maintainer__ = "Michiel van Setten"
__email__ = "*****@*****.**"
__date__ = "Sept 2014"
"""
Script to setup a set of benchmark calculations
"""
from PyBench.core.descriptions import get_description
from PyBench.core.benchmarks import get_benchmark
import os
if __name__ == "__main__":
code = 'vasp'
desc = get_description(code=code)
if not os.path.isfile('description'):
desc.print_template()
bench = get_benchmark('standard_vasp', code=code)
bench.create_input()
bench.create_job_collection()
from __future__ import print_function, division
__author__ = 'setten'
__version__ = "0.1"
__maintainer__ = "Michiel van Setten"
__email__ = "*****@*****.**"
__date__ = "Sept 2014"
"""
Script to setup a set of benchmark calculations
"""
from PyBench.core.descriptions import get_description
from PyBench.core.benchmarks import get_benchmark
import os
if __name__ == "__main__":
code = 'vasp'
desc = get_description(code=code)
if not os.path.isfile('description'):
desc.print_template()
bench = get_benchmark('standard_vasp', code=code)
bench.create_input()
bench.create_job_collection()
