<div dir="ltr">Unclear. 6583c94 is one of your commits. Some very recent stuff has been playing with nstlist and rlist (safely, or so we thought.) Can you reproduce with mainstream release-4-6?<div><br></div><div>Mark</div>
</div><div class="gmail_extra"><br><br><div class="gmail_quote">On Thu, Nov 7, 2013 at 5:18 PM, Carsten Kutzner <span dir="ltr"><<a href="mailto:ckutzne@gwdg.de" target="_blank">ckutzne@gwdg.de</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Hi,<br>
<br>
we have a 120k atom system that crashes with<br>
<br>
------------------------------<u></u>------------------------<br>
Program mdrun_mpi, VERSION 4.6.4-dev-20131015-6583c94<br>
Source code file: /home/c/gromacs/src/mdlib/<u></u>nbnxn_search.c, line: 685<br>
<br>
Software inconsistency error:<br>
Lost particles while sorting<br>
For more information and tips for troubleshooting, please check the GROMACS<br>
website at <a href="http://www.gromacs.org/Documentation/Errors" target="_blank">http://www.gromacs.org/<u></u>Documentation/Errors</a><br>
------------------------------<u></u>-------------------------<br>
<br>
if run with >= 2 MPI processes on a GPU and small values for nstlist. On my workstation,<br>
nstlist = 34 and larger works, whereas nstlist <= 33 lead to the above problem.<br>
<br>
Another system (60k atoms) does not produce this problem, so system size seems<br>
to matter as well.<br>
<br>
Looks like an old ghost:<br>
<br>
<a href="http://redmine.gromacs.org/issues/1153" target="_blank">http://redmine.gromacs.org/<u></u>issues/1153</a><br>
<br>
<br>
Should I file a redmine issue?<span class="HOEnZb"><font color="#888888"><br>
<br>
Carsten<br>
<br>
<br>
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</font></span></blockquote></div><br></div>