('The NEB initially has 2 images ', '(including the end-points)')
Now adding images for initial run
('Max length between images is at ', 0)
Start of evaluation of the initial images
('Now starting iteration 1 on ', [0, 1, 2, 3, 4])
/home/askhl/src/ase/ase/optimize/optimize.py:165: RuntimeWarning: overflow encountered in square
  fmax = sqrt((forces**2).sum(axis=1).max())
/home/askhl/src/ase/ase/optimize/optimize.py:165: RuntimeWarning: overflow encountered in square
  fmax = sqrt((forces**2).sum(axis=1).max())
/home/askhl/src/ase/ase/optimize/optimize.py:162: RuntimeWarning: overflow encountered in square
  return (forces**2).sum(axis=1).max() < self.fmax**2
/home/askhl/src/ase/ase/optimize/optimize.py:162: RuntimeWarning: overflow encountered in square
  return (forces**2).sum(axis=1).max() < self.fmax**2
/home/askhl/src/ase/ase/optimize/fire.py:93: RuntimeWarning: invalid value encountered in multiply
  np.vdot(f, f)) * np.sqrt(np.vdot(self.v, self.v))
/home/askhl/src/ase/ase/optimize/fire.py:93: RuntimeWarning: invalid value encountered in multiply
  np.vdot(f, f)) * np.sqrt(np.vdot(self.v, self.v))
/home/askhl/src/ase/ase/neighborlist.py:105: RuntimeWarning: invalid value encountered in less
  (self.cutoffs + self.cutoffs[a])**2]
/home/askhl/src/ase/ase/neighborlist.py:105: RuntimeWarning: invalid value encountered in less
  (self.cutoffs + self.cutoffs[a])**2]
/home/askhl/src/ase/ase/neb.py:202: RuntimeWarning: invalid value encountered in subtract
  images[i].get_positions(),
/home/askhl/src/ase/ase/neb.py:202: RuntimeWarning: invalid value encountered in subtract
  images[i].get_positions(),
/home/askhl/src/ase/ase/optimize/fire.py:99: RuntimeWarning: invalid value encountered in multiply
  self.v[:] *= 0.0
/home/askhl/src/ase/ase/optimize/fire.py:99: RuntimeWarning: invalid value encountered in multiply
  self.v[:] *= 0.0
rank=1 L0: Traceback (most recent call last):
rank=1 L1:   File "AutoNEB2.py", line 48, in <module>
rank=1 L2:     autoneb.run()
rank=1 L3:   File "/home/askhl/src/ase/ase/autoneb.py", line 294, in run
rank=1 L4:     self.execute_one_neb(n_cur, to_run, climb=False)
rank=1 L5:   File "/home/askhl/src/ase/ase/autoneb.py", line 228, in execute_one_neb
rank=1 L6:     neb.distribute()
rank=1 L7:   File "/home/askhl/src/ase/ase/autoneb.py", line 598, in store_E_and_F_in_spc
rank=1 L8:     image))
rank=2 L0: Traceback (most recent call last):
rank=2 L1:   File "AutoNEB2.py", line 48, in <module>
rank=2 L2:     autoneb.run()
rank=2 L3:   File "/home/askhl/src/ase/ase/autoneb.py", line 294, in run
rank=2 L4:     self.execute_one_neb(n_cur, to_run, climb=False)
rank=2 L5:   File "/home/askhl/src/ase/ase/autoneb.py", line 228, in execute_one_neb
rank=2 L6:     neb.distribute()
rank=2 L7:   File "/home/askhl/src/ase/ase/autoneb.py", line 598, in store_E_and_F_in_spc
rank=1 L9: TypeError: __init__() takes exactly 2 arguments (6 given)
rank=2 L8:     image))
rank=2 L9: TypeError: __init__() takes exactly 2 arguments (6 given)
GPAW CLEANUP (node 1): <type 'exceptions.TypeError'> occurred.  Calling MPI_Abort!
GPAW CLEANUP (node 2): <type 'exceptions.TypeError'> occurred.  Calling MPI_Abort!
rank=0 L0: Traceback (most recent call last):
rank=0 L1:   File "AutoNEB2.py", line 48, in <module>
rank=0 L2:     autoneb.run()
rank=0 L3:   File "/home/askhl/src/ase/ase/autoneb.py", line 294, in run
rank=0 L4:     self.execute_one_neb(n_cur, to_run, climb=False)
rank=0 L5:   File "/home/askhl/src/ase/ase/autoneb.py", line 228, in execute_one_neb
rank=0 L6:     neb.distribute()
rank=0 L7:   File "/home/askhl/src/ase/ase/autoneb.py", line 598, in store_E_and_F_in_spc
rank=0 L8:     image))
rank=0 L9: TypeError: __init__() takes exactly 2 arguments (6 given)
GPAW CLEANUP (node 0): <type 'exceptions.TypeError'> occurred.  Calling MPI_Abort!
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 2 in communicator MPI_COMM_WORLD 
with errorcode 42.

NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.
--------------------------------------------------------------------------
[loki:26976] 2 more processes have sent help message help-mpi-api.txt / mpi-abort
[loki:26976] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages