Loading add_pdbqt_signac_mpi2.py +0 −10 Original line number Diff line number Diff line Loading @@ -64,16 +64,6 @@ def insert_loop(tname): return (shard, fname, k) # raw mongodb commands: #try: # cpds.insert_many(info) #except Duplicate: # pass #try: # atypes.insert_one({'_id':fname, 'fullname':name}) #except Duplicate: # pass def main(shards): logging.basicConfig(stream=sys.stdout, level=logging.DEBUG) with MPICommExecutor(MPI.COMM_WORLD, root=0) as executor: Loading helpers.py +0 −6 Original line number Diff line number Diff line import pymongo import tarfile as tf from pathlib import Path Duplicate = pymongo.errors.DuplicateKeyError def get_mdb(): mclient = pymongo.MongoClient("mongodb://signac:covid19-scalable@mongodb-signac-bif128.apps.marble.ccs.ornl.gov", port=30594) return mclient["signac"] # FIXME: parse sys.env['SLURM_NODELIST'] = "rhea[473,509]" def get_rdb(name=None): Loading Loading
add_pdbqt_signac_mpi2.py +0 −10 Original line number Diff line number Diff line Loading @@ -64,16 +64,6 @@ def insert_loop(tname): return (shard, fname, k) # raw mongodb commands: #try: # cpds.insert_many(info) #except Duplicate: # pass #try: # atypes.insert_one({'_id':fname, 'fullname':name}) #except Duplicate: # pass def main(shards): logging.basicConfig(stream=sys.stdout, level=logging.DEBUG) with MPICommExecutor(MPI.COMM_WORLD, root=0) as executor: Loading
helpers.py +0 −6 Original line number Diff line number Diff line import pymongo import tarfile as tf from pathlib import Path Duplicate = pymongo.errors.DuplicateKeyError def get_mdb(): mclient = pymongo.MongoClient("mongodb://signac:covid19-scalable@mongodb-signac-bif128.apps.marble.ccs.ornl.gov", port=30594) return mclient["signac"] # FIXME: parse sys.env['SLURM_NODELIST'] = "rhea[473,509]" def get_rdb(name=None): Loading