def __init__(self, fname): macrothread.__init__(self, fname, 'anl') # Analysis Thread State Data self.setStream('rawoutput', 'completesim') self.addImmut('anlSplitParam') self.addImmut('anlDelay') self.addImmut('centroid') self.addImmut('numLabels') self.addImmut('terminate') self.addImmut('pcaVectors') self.modules.add('redis') self.buildArchive = False self.manual = False # Update Base Slurm Params self.slurmParams['cpus-per-task'] = 6 # TODO: Move to Catalog or define on a per-task basis self.winsize = 100 self.slide = 50
def __init__(self, fname): macrothread.__init__(self, fname, 'ctl') # Set the simluation thread as the down stream macrothread node self.register_downnode('sim') # State Data for Simulation MacroThread -- organized by state self.setStream('basin:stream', None) self.addMut('jcqueue') self.addMut('converge') self.addMut('ctl_index_head') self.addImmut('basin:list') self.addImmut('basin:rms') self.addAppend('timestep') self.addMut('runtime') self.addMut('dspace_mu') self.addMut('dspace_sigma') self.addMut('raritytheta') self.addMut('sampler:explore') self.addMut('basin:processed') # self.addMut('lattice:max_fis') # self.addMut('lattice:low_fis') # self.addMut('lattice:dlat') # self.addMut('lattice:iset_delta') self.addMut('ctlCountHead') self.addImmut('exploit_factor') self.addImmut('observe:count') # Update Base Slurm Params self.slurmParams['cpus-per-task'] = 24 self.modules.add('namd/2.10') self.trajlist_async = deque() self.cacheclient = None # For stat tracking self.cache_hit = 0 self.cache_miss = 0 # Optimization on global xid list self.xidreference = None self.force_decision = False self.parser.add_argument('--force', action='store_true') args = self.parser.parse_args() if args.force: logging.info('FORCING A MANUAL CONTROL DECISION') self.force_decision = True
def __init__(self, fname, jobnum=None): macrothread.__init__(self, fname, "sim") # Set the controller as the down stream macrothread node self.register_downnode("ctl") # State Data for Simulation MacroThread -- organized by state self.setStream("jcqueue", "basin:stream") self.addAppend("xid:filelist") # Local Data to this running instance self.cpu = 1 self.numnodes = 1 # Update Runtime Parameters self.modules.add("namd/2.10") # self.modules.add('namd/2.10-mpi') self.modules.add("redis") # self.slurmParams['share'] = None self.slurmParams["cpus-per-task"] = PARALLELISM # self.slurmParams['time'] = '4-0:00:0' self.skip_simulation = False self.skip_timescape = False self.skip_notify = False self.parser.add_argument("-a", "--analysis", action="store_true") self.parser.add_argument("--useid") self.parser.add_argument("--skiptimescape", action="store_true") self.parser.add_argument("--skipnotify", action="store_true") args = self.parser.parse_args() if args.analysis: logging.info("SKIPPING SIMULATION") self.skip_simulation = True if args.skiptimescape: logging.info("SKIPPING TIMESCAPE") self.skip_timescape = True if args.skipnotify: logging.info("SKIPPING DOWNSTREAM NOTIFY") self.skip_notify = True if args.useid: self.job_id = args.useid
def __init__(self, fname, jobnum = None): macrothread.__init__(self, fname, 'sim') # Set the controller as the down stream macrothread node self.register_downnode('ctl') # State Data for Simulation MacroThread -- organized by state self.setStream('jcqueue', 'basin:stream') self.addAppend('xid:filelist') # Local Data to this running instance self.cpu = 1 self.numnodes = 1 # Update Runtime Parameters self.modules.add('namd/2.10') # self.modules.add('namd/2.10-mpi') self.modules.add('redis') # self.slurmParams['share'] = None self.slurmParams['cpus-per-task'] = PARALLELISM # self.slurmParams['time'] = '4-0:00:0' self.skip_simulation = False self.skip_timescape = False self.skip_notify = False self.parser.add_argument('-a', '--analysis', action='store_true') self.parser.add_argument('--useid') self.parser.add_argument('--skiptimescape', action='store_true') self.parser.add_argument('--skipnotify', action='store_true') args = self.parser.parse_args() if args.analysis: logging.info('SKIPPING SIMULATION') self.skip_simulation = True if args.skiptimescape: logging.info('SKIPPING TIMESCAPE') self.skip_timescape = True if args.skipnotify: logging.info('SKIPPING DOWNSTREAM NOTIFY') self.skip_notify = True if args.useid: self.job_id = args.useid
def __init__(self, fname): macrothread.__init__(self, fname, 'ctl') # State Data for Simulation MacroThread -- organized by state self.setStream('completesim', None) self.addMut('jcqueue') self.addMut('converge') self.addMut('ctlIndexHead') self.addMut('ctlCountHead') self.addImmut('ctlSplitParam') self.addImmut('ctlDelay') self.addImmut('numLabels') self.addImmut('terminate') self.addImmut('numresources') self.addImmut('ctlBatchSize_min') self.addImmut('ctlBatchSize_max') self.addImmut('dcdfreq') self.addImmut('runtime') self.addImmut('exploit_factor') self.addImmut('max_observations') self.addImmut('sim_step_size') self.addImmut('observe:count') self.addAppend('timestep') # self.addAppend('observe') self.addMut('runtime') # Update Base Slurm Params self.slurmParams['cpus-per-task'] = 24 self.modules.add('namd/2.10') self.trajlist_async = deque() self.cacheclient = None # For stat tracking self.cache_hit = 0 self.cache_miss = 0 # Optimization on global xid list self.xidreference = None
def __init__(self, fname, jobnum = None): macrothread.__init__(self, fname, 'sim') # State Data for Simulation MacroThread -- organized by state self.setStream('jcqueue', 'completesim') self.addImmut('simSplitParam') self.addImmut('simDelay') self.addImmut('centroid') self.addImmut('numLabels') self.addImmut('terminate') self.addImmut('sim_conf_template') self.addImmut('dcdfreq') self.addImmut('runtime') self.addImmut('obs_noise') self.addImmut('sim_step_size') self.addImmut('max_observations') self.addAppend('xid:filelist') # Local Data to this running instance self.cpu = 1 self.numnodes = 1 # Update Runtime Parameters self.modules.add('namd/2.10') # self.modules.add('namd/2.10-mpi') self.modules.add('redis') # self.slurmParams['share'] = None self.slurmParams['cpus-per-task'] = PARALLELISM # self.slurmParams['time'] = '2:00:0' self.skip_simulation = False self.parser.add_argument('-a', '--analysis', action='store_true') self.parser.add_argument('--useid') args = self.parser.parse_args() if args.analysis: logging.info('SKIPPING SIMULATION') self.skip_simulation = True if args.useid: self.job_id = args.useid
def __init__(self, fname, jobnum = None): macrothread.__init__(self, fname, 'sim') # State Data for Simulation MacroThread -- organized by state self.setStream('jcqueue', 'rawoutput') self.addImmut('simSplitParam') self.addImmut('simDelay') self.addImmut('terminate') self.addImmut('sim_conf_template') self.addAppend('launch') # Local Data to this running instance self.cpu = 1 self.numnodes = 1 # Update Runtime Parameters self.modules.add('namd/2.10') self.modules.add('redis') # self.slurmParams['share'] = None self.slurmParams['cpus-per-task'] = PARALLELISM self.slurmParams['time'] = '4:00:0'