|From:||Michał Kański <michal.kanski@...2460...>|
|Date:||Wed, 15 Nov 2017 13:00:56 +0000|
This doesn’t look like LAMMPS output at all.
Od: higuk <higuk@...7234...>
Wysłane: Wednesday, November 15, 2017 7:16:21 AM
Do: 'Axel Kohlmeyer'
Temat: Re: [lammps-users] ReaxFF MD simulation problem
Thanks to your reply.
Based on your advice, I have installed lammps new version (lammps-31Mar17) and I have run same script.
However, I’m faced with same problems.
Exactly speaking, the simulation is normally finished, but the calculation does not proceed.
I checked following message in my log file.
486.933u 3.011s 0:17.77 2757.1% 0+0k 8512+38960io 883pf+0w
I am looking for your reply.
From: Axel Kohlmeyer [mailto:akohlmey@...24...]
On Tue, Nov 14, 2017 at 7:55 PM, higuk <higuk@...7234...> wrote:
your LAMMPS version is over 2 years old. you should upgrade. there have been many bugfixes and improvements since. nobody will look into fixing problems without confirmation that the problem hasn't been fixed already.
also, LAMMPS doesn't just stop without any kind of error message. it may just be, that you didn't look in the right place.
also, your input deck is missing the force field file your are using, so nobody can reproduce the run.