Hello Alex and LAMMPS user,
Thanks for the quick response. But this is a September 2010 version of LAMMPS. Not too long ago.
that is quite a while.
This version of LAMMPS code is linked and compile with many other internal/external codes, like PLUMMED, NEB and Quantum Expresso.
that is all a matter of organization!
i am maintaining a significantly modified version on my homepage
( http://sites.google.com/site/akohlmey/software/lammps-icms )
yet, it costs me _very_ little effort to keep it in sync with the mainline,
and port all changes over the the additional pieces that i have, e.g.
keep all OpenMP parallel pair styles in sync with their "normal"
I cannot undertake the pain of recompiling all these pieces with LAMMPS again.
If there is a specific patch that correct this particular problem, please point it to me.
as i said, nobody will be interested to even look for a problem,
unless you can show that it still exists in the latest version.
so please compile the up-to-date version (w/o all the add-on stuff)
and see if you can reproduce your problem and then post a
_complete_ and _simple_ input that demonstrates the issue.
this is how you would get a problem fixed. not by arguing that
september isn't that far away.
patches and changes are explained on this page.
however, since those patches typically build on each other,
and every once in a while some lower level changes get
implemented that may require changes to the higher-level
code to work properly, it is difficult to predict, if you can
easily single out the problem and fix it.
but then again, this is open source software and you are
free to shoot yourself into as many feet as you like, provided
they are all your own.