[gpaw-users] gpaw-python unable to import modules
Marcin Dulak
Marcin.Dulak at fysik.dtu.dk
Tue Nov 15 09:40:16 CET 2011
Hi,
can you run:
python -c "import sys; print sys.path"
and
mpirun -np 4 gpaw-python -c "import sys; print sys.path"
Is avogadro path there?
Marcin
Alex Eftimiades wrote:
> I am using avogadro's python extension to determine bonding in my
> setup. Everything works just fine with regular
> python script.py
>
> But when I use mpirun -np 4 gpaw-python script.py
> I get
> ImportError: No module named Avogadro
>
> The line is particular is:
> from Avogadro import Molecule, MoleculeFile
>
> This seems like it ought to be an easy fix. I just do not know how to
> go about doing it. I am running 64bit ubuntu 11.10 and I insalled gpaw
> and ase via the ppa. Everything should be up to date.
>
> Thank you,
> Alex
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> gpaw-users at listserv.fysik.dtu.dk
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>
>
--
***********************************
Marcin Dulak
Technical University of Denmark
Department of Physics
Building 307, Room 229
DK-2800 Kongens Lyngby
Denmark
Tel.: (+45) 4525 3157
Fax.: (+45) 4593 2399
email: Marcin.Dulak at fysik.dtu.dk
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