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Re: [ESPResSo-users] Bug in python interface?
From: |
Henri |
Subject: |
Re: [ESPResSo-users] Bug in python interface? |
Date: |
Thu, 25 Jan 2018 13:52:42 +1300 |
On Tue, 2018-01-23 at 13:26 +0100, Andreas Härtel wrote:
> Hello Henri,
>
> the most simple script for getting the error is just one line:
> import espressomd.System
>
> It happens using ESPResSo 3.3.1, the most recent release that you can
> get from the web page.
>
> The myconfig.hpp file is:
> #define PARTIAL_PERIODIC
> #define CONSTRAINTS
> #define BOND_VIRTUAL
> #define ROTATION
> #define ROTATIONAL_INERTIA
> #define ELECTROSTATICS
> #define VIRTUAL_SITES_RELATIVE
> #define VIRTUAL_SITES_NO_VELOCITY
> #define LENNARD_JONES
> #define LENNARD_JONES_GENERIC
I just tested your configuration and it seems to be resolved in the development
version, so you
should switch to that.
Note that in the development version the features
BOND_VIRTUAL VIRTUAL_SITES_NO_VELOCITY
have been removed.
I don't think that
import espressomd.System
ever worked because System is not a module but a class in the module
espressomd. Did you mean
from espressomd import System
>
> Best regards,
> Andreas
>
>
> On 23.01.2018 02:30, Henri wrote:
> >
> > Hello Andreas,
> >
> > The error you are seeing is from the C++ simulation core and seems to be
> > related to broken
> > memory
> > handling. There is nothing you can do from a user perspective.
> >
> > >
> > > I start a simple python script
> > Can you please share the script? It would help us a lot with debugging
> > with this problem.
> > Please
> > also share with us which version of ESPResSo you are using and how you
> > compiled it
> > (myconfig.hpp).
> >
> > Cheers, Henri
> >
> > On Mon, 2018-01-22 at 13:13 +0100, Andreas Härtel wrote:
> > >
> > > Hello list,
> > > when I start a simple python script using pypresso, I always get errors
> > > as the attached one. Can someone tell me what is going wrong here?
> > > TCL scripts run without problems.
> > > Thanks and best regards,
> > > Andreas