[gmx-developers] Lost particles while sorting

[Carsten Kutzner]

Hi,

we have a 120k atom system that crashes with

------------------------------------------------------
Program mdrun_mpi, VERSION 4.6.4-dev-20131015-6583c94
Source code file: /home/c/gromacs/src/mdlib/nbnxn_search.c, line: 685

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
-------------------------------------------------------

if run with >= 2 MPI processes on a GPU and small values for nstlist. On 
my workstation,
nstlist = 34 and larger works, whereas nstlist <= 33 lead to the above 
problem.

Another system (60k atoms) does not produce this problem, so system size 
seems
to matter as well.

Looks like an old ghost:

http://redmine.gromacs.org/issues/1153


Should I file a redmine issue?

Carsten