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Re: [lammps-users] custom fix and pairstyle give error when called from python
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Re: [lammps-users] custom fix and pairstyle give error when called from python


From: Stefan Paquay <stefanpaquay@...24...>
Date: Fri, 1 Sep 2017 14:32:44 -0400

Probably Anaconda looks for its libraries in a different location, and hence will not find your .so automatically.

On Fri, Sep 1, 2017 at 4:11 AM, Victor Koppejan - TNW <V.W.Koppejan@...1427...> wrote:
> On Thu, Aug 31, 2017 at 12:00 PM, Victor Koppejan - TNW
> <V.W.Koppejan@...1427... <mailto:V.W.Koppejan@...6922...nl>> wrote:
>
>     Hi all,
>
>     I have a custom fix and pair style that I use quite often. I've compiled
>     the shared lib according the instructions and re installed the python
>     packages after the changes.
>
>     Both the old and the pylammps interfaces don't recognize them.
>
>     Both the pair style and the fix show up in the output from lammps -h |
>     more.
>
>     The lammps binary runs without problems.
>
>     Running the same input file through lmp.file("inputfile") gives "ERROR:
>     Unknown pair style"
>
>     When I use the same lammps library in my openfoam-lammps code it
>     runs ok.
>
>     Is this me or a bug?
>
>
> ​this is very unlikely to be a bug.
> you can cross-check which library object and LAMMPS version was picked
> up​ and which styles they contain through the "info" command.
> so do a lmp.command("info all") and see what your python module picked up.
>
> axel.
>
>
I think the problem was with the anaconda python distribution. When I
compiled again against the system python3 it works as expected.
I'll see if I can found out what goes wrong with the anaconda python3
version.

Thanks for you help.

Victor
>
>
>     Thanks,
>
>     Victor
>
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> Dr. Axel Kohlmeyer  akohlmey@...24... <mailto:akohlmey@...43...4...>
http://goo.gl/1wk0
> College of Science & Technology, Temple University, Philadelphia PA, USA
> International Centre for Theoretical Physics, Trieste. Italy.
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