[gpaw-users] Testing

[Ask Hjorth Larsen]

Hi Naphtaly

On Wed, 16 Mar 2011, naphtaly moro wrote:

> Daer GPAW users,
> 
> I am new user and I have installed the GPAW according to instructions on the
> webpage but on testing am getting this
> 
> mpirun -np 2 gpaw-python gpaw/test/spinpol.py
> Traceback (most recent call last):
>   File "gpaw/test/spinpol.py", line 1, in <module>
>     from ase import Atom, Atoms
>   File "/home/cecil/ase/ase/__init__.py", line 16, in <module>
> Traceback (most recent call last):
>   File "gpaw/test/spinpol.py", line 1, in <module>
>     from ase import Atom, Atoms
>   File "/home/cecil/ase/ase/__init__.py", line 16, in <module>
>     from ase.io import read, write
>     from ase.io import read, write
>   File "/home/cecil/ase/ase/io/__init__.py", line 9, in <module>
>   File "/home/cecil/ase/ase/io/__init__.py", line 9, in <module>
>     from ase.io.trajectory import PickleTrajectory
>   File "/home/cecil/ase/ase/io/trajectory.py", line 6, in <module>
>     from ase.io.trajectory import PickleTrajectory
>   File "/home/cecil/ase/ase/io/trajectory.py", line 6, in <module>
>     from ase.parallel import rank, barrier
>     from ase.parallel import rank, barrier
>   File "/home/cecil/ase/ase/parallel.py", line 45, in <module>
>   File "/home/cecil/ase/ase/parallel.py", line 45, in <module>
>     from gpaw.mpi import world
>   File "/home/cecil/gpaw/gpaw/__init__.py", line 236, in <module>
>     from gpaw.mpi import world
>   File "/home/cecil/gpaw/gpaw/__init__.py", line 236, in <module>
>     from gpaw.aseinterface import GPAW
>     from gpaw.aseinterface import GPAW
>   File "/home/cecil/gpaw/gpaw/aseinterface.py", line 12, in <module>
>   File "/home/cecil/gpaw/gpaw/aseinterface.py", line 12, in <module>
>     from gpaw.paw import PAW
>     from gpaw.paw import PAW
>   File "/home/cecil/gpaw/gpaw/paw.py", line 14, in <module>
>     import gpaw.io
>   File "/home/cecil/gpaw/gpaw/paw.py", line 14, in <module>
>     import gpaw.io
>   File "/home/cecil/gpaw/gpaw/io/__init__.py", line 7, in <module>
>   File "/home/cecil/gpaw/gpaw/io/__init__.py", line 7, in <module>
>     from ase.units import second, alpha, _hbar, _me, _c
>     from ase.units import second, alpha, _hbar, _me, _c
> ImportError: cannot import name alpha
> ImportError: cannot import name alpha
> GPAW CLEANUP (node 0): <type 'exceptions.ImportError'> occurred.  Calling
> MPI_Abort!
> GPAW CLEANUP (node 1): <type 'exceptions.ImportError'> occurred.  Calling
> MPI_Abort!
> application called MPI_Abort(MPI_COMM_WORLD, 42) - process 0
> application called MPI_Abort(MPI_COMM_WORLD, 42) - process 1
> [mpiexec at ouma] ONE OF THE PROCESSES TERMINATED BADLY: CLEANING UP

alpha is not defined in ase.units until a quite recent version, and thus 
cannot be imported in the stable version which you are probably using. 
Just remove alpha from the import statement and write alpha by hand if 
necessary.

Regards
Ask