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)
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()