[gpaw-users] GPAW test errors
naromero at alcf.anl.gov
naromero at alcf.anl.gov
Fri Oct 1 23:16:38 CEST 2010
Yuelin,
Please take the time to go through and understand the customize.py file. I would recommend
not linking in the 'atlas' library to see if it works.
Alternatively, you might be better off just installing the Ubuntu package:
https://wiki.fysik.dtu.dk/gpaw/install/Linux/Ubuntu_ppa.html
----- "Yuelin Li" <ylli at aps.anl.gov> wrote:
> Thank. See below, it does not look like the path has been modified in any way, but I might be wrong.
>
> ylli at ubuntu:~$ echo $PYTHONPATH
> /home/ylli/ase:
> ylli at ubuntu:~$ echo $PATH
> /home/ylli/ase/ase/calculators/jacapo/tools:/home/ylli/ase/tools:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games
>
>
> On 9/29/2010 12:00, Ask Hjorth Larsen wrote:
Hi
>
> On Wed, 29 Sep 2010, Yuelin Li wrote:
>
>
Indeed, it using different libs (see attached), how to fix? Thanks.
>
> It could be that you have tried to install GPAW in different ways, ending up with a conflict of some sort.
>
> If you install from the ubuntu repository, make sure the $PYTHONPATH hasn't been modified in such a way that it finds things pertaining to a previous installation - there should be no GPAW-specific modification to $PYTHONPATH or $PATH.
>
> Regards
> Ask
>
> _______________________________________________ gpaw-users mailing list gpaw-users at listserv.fysik.dtu.dk https://listserv.fysik.dtu.dk/mailman/listinfo/gpaw-users
--
Nichols A. Romero, Ph.D.
Argonne Leadership Computing Facility
Argonne National Laboratory
Building 240 Room 2-127
9700 South Cass Avenue
Argonne, IL 60490
(630) 252-3441
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