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Deterministic PT2 for < 1000 dets
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bin/qp_tunnel
Executable file
71
bin/qp_tunnel
Executable file
@ -0,0 +1,71 @@
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#!/usr/bin/env python2
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"""
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Creates an ssh tunnel for using slaves on another network.
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Launch a server on the front-end node of the cluster on which the master
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process runs. Then start a client ont the front-end node of the distant
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cluster.
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Usage:
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qp_tunnel server EZFIO_DIR
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qp_tunnel client <address> EZFIO_DIR
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Options:
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-h --help
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"""
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import os
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import sys
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import zmq
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try:
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import qp_path
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except ImportError:
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print "source .quantum_package.rc"
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raise
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from docopt import docopt
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from ezfio import ezfio
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def get_address(filename):
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with open(os.path.join(filename,'work','qp_run_address'),'r') as f:
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a = f.readlines()[0].strip()
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return a
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def set_address(filename,address):
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with open(os.path.join(filename,'work','qp_run_address'),'r') as f:
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backup = f.readlines()
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with open(os.path.join(filename,'work','qp_run_address'),'w') as f:
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f.write('\n'.join([address]+backup))
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def main_server(arguments,filename):
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destination = get_address(filename)
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print destination
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def main_client(arguments,filename):
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destination = arguments["<address>"]
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print destination
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def main(arguments):
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"""Main function"""
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print arguments
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filename = arguments["EZFIO_DIR"]
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if arguments["server"]:
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return main_server(arguments, filename)
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if arguments["client"]:
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return main_client(arguments, filename)
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if __name__ == '__main__':
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ARGUMENTS = docopt(__doc__)
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main(ARGUMENTS)
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@ -135,7 +135,7 @@ subroutine ZMQ_pt2(E, pt2,relative_error, error, variance, norm, N_in)
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PROVIDE psi_occ_pattern_hii det_to_occ_pattern
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endif
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if (N_det < max(10,N_states)) then
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if (N_det < max(1000,N_states)) then
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pt2=0.d0
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variance=0.d0
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norm=0.d0
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@ -38,7 +38,7 @@ default: 1
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type: Threshold
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doc: Thresholds on generators (fraction of the square of the norm)
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interface: ezfio,provider,ocaml
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default: 0.99
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default: 0.999
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[n_int]
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interface: ezfio
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