[gmx-users] Membrane simulation error

[Mark Abraham]

Hi,

I've no idea what's wrong, but that error message suggests the code is
wrong somehow. Please open an issue at https://redmine.gromacs.org/ and
attach a tarball of your .tpr and inputs to grompp.

Mark

On Fri, Sep 9, 2016 at 1:50 PM Ben Tam <btam125 at hotmail.co.uk> wrote:

> Dear gromacs user,
>
>
> I am doing a membrane simulation, however I have this error message pop up
> when I do energy minimisation:
>
> Program gmx mdrun, VERSION 5.1.1
> Source code file:
> /dev/shm/tmp.PwtfSrm0uJ/gromacs-5.1.1/src/gromacs/mdlib/nbnxn_search.c,
> line: 734
>
> Software inconsistency error:
> Lost particles while sorting
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
> -------------------------------------------------------
>
> I do not understand what the message means. Without the wall, the
> simulation complete normally and it was ran for 1ns. Can someone enlighten
> me what is going on and how do I solve the problem?
>
> For the .mdp file, this is my simulation set up for the wall:
>
> nwall= 2
> wall_type    = 9-3
> wall_r_linpot    = 1
> wall_atomtype   = Cw Cw
> wall_density    = 5  5
> wall_ewald_zfac    = 3
>
> Thank you all for your time to read and help.
>
> Best regards,
>
> Benjamin Tam
>
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