[ase-users] error with ag

pgmoses pgmoses at engineering.ucsb.edu
Wed Feb 18 19:53:08 CET 2009


Hi everybody

ag used to work like at charm, but I updated it today and now I get the
following error when trying to read a trajectory file
ag dyn_run2.traj 
Traceback (most recent call last):
  File "/Users/moses/ase/tools/ag", line 118, in <module>
    run(opt, args)
  File "/Users/moses/ase/tools/ag", line 82, in run
    images.read(args, string2index(opt.image_number))
  File "/Users/moses/ase/ase/gui/images.py", line 73, in read
    i = read(filename, index)
  File "/Users/moses/ase/ase/io/__init__.py", line 82, in read
    return read_trajectory(filename, index)
  File "/Users/moses/ase/ase/io/trajectory.py", line 252, in read_trajectory
    traj = PickleTrajectory(filename, mode='r')
  File "/Users/moses/ase/ase/io/trajectory.py", line 65, in __init__
    self.open(filename, mode)
  File "/Users/moses/ase/ase/io/trajectory.py", line 79, in open
    self.read_header()
  File "/Users/moses/ase/ase/io/trajectory.py", line 108, in read_header
    d = pickle.load(self.fd)
  File "/opt/local/Library/Frameworks/Python.framework/Versions/2.5/lib/python2.5/pickle.py", line 1370, in load

    return Unpickler(file).load()
  File "/opt/local/Library/Frameworks/Python.framework/Versions/2.5/lib/python2.5/pickle.py", line 858, in load

    dispatch[key](self)
  File "/opt/local/Library/Frameworks/Python.framework/Versions/2.5/lib/python2.5/pickle.py", line 1083, in load_newobj

    obj = cls.__new__(cls, *args)
AttributeError: class FixAtoms has no attribute '__new__'

An exception occurred!  Please report the issue to
ase-developers at listserv.fysik.dtu.dk - thanks!  Please also report this if
it was a user error, so that a better error message can be provided
next time.


Any ideas on what is wrong would be much appreciated.

Poul Georg


Poul Georg Moses

Ph.d, Postdoc
Materials Department
University of California
Santa Barbara, CA 93106-5050

Phone: (805) 893-6158
Fax:   (805) 893-8486
Cell:  (805) 680-4639 
e-mail: pgmoses at engr.ucsb.edu




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