[gmx-users] Assertion failed: Condition: bX

[Justin Lemkul]

On 1/27/20 10:13 AM, Sadaf Rani wrote:
> Dear Gromacs users
>
> I am getting following message in my log file during MD simulation:--
> -------------------------------------------------------
> Program:     gmx mdrun, version 2018.1
> Source file: src/gromacs/mdlib/minimize.cpp (line 582)
> Function:    void write_em_traj(_IO_FILE *, t_commrec *, gmx_mdoutf *, int,
> int, const char *, gmx_mtop_t *, t_inputrec *, long, em_state_t *, t_state
> *, ObservablesHistory *)
>
>
> *Assertion failed:Condition: bX*
> The code below assumes that (with domain decomposition), x is collected to
> state_global in the call above.
>
> I could get a post regarding its fixing
> https://redmine.gromacs.org/issues/2554
>    Could you please suggest me why is this happening?  and how should I fix
> it.

Upgrade to a later version of GROMACS. The Redmine issue indicates 
2018.2 has the problem, so clearly 2018.1 will, as well. At minimum, 
upgrade to the last version in the 2018 series but preferably just get 
the latest actual release.

-Justin

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Justin A. Lemkul, Ph.D.
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