[gpaw-users] Unable to view(atoms) with mpirun gpaw-python
Alex Eftimiades
alexeftimiades at gmail.com
Fri Dec 30 22:15:32 CET 2011
I have ase, gpaw, mpi (openmpi), and python installed via aptitude on
Ubuntu 11.10.
I did a simple set of tests:
I have two files:
File 1:
from ase import view
from ase.structure import nanotube
from gpaw.mpi import *
tube=nanotube(4,4)*(1,1,3)
view(tube)
___________________________________________
File 2:
from ase import view
from ase.structure import nanotube
from gpaw.mpi import *
tube=nanotube(4,4)*(1,1,3)
if world.rank==0:
view(tube)
world.barrier()
____________________________________________
I do not see any reason for putting world.barrier() at the end of File
2, but considering how little I know about how gpaw-python works with
mpi, I thought I would be safe and leave it there.
I executed these two files with each of the following commands:
python
gpaw-python
mpirun -np 4 gpaw-python
_____________________________________________
I received the following results:
python gpaw-python mpirun -np 4 gpaw-python
File 1: correct result correct result nothing
File 2: correct result correct result nothing
So the question remains--how can I get a view of my atoms with mpirun
gpaw-python? If you are still skeptical of the functionality of my mpi
or gpaw-python, I can assure you I have been able to calculate the
potential energy of a nanotube(4,4) using mpirun -np 4 gpaw-python
Thanks,
Alex
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