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[ESPResSo-users] question on restarting after crash
From: |
Marcello Sega |
Subject: |
[ESPResSo-users] question on restarting after crash |
Date: |
Tue, 29 Apr 2014 09:08:27 +0200 |
Dear all,
I'm currently lost with the problem below, maybe some of you have an
idea of what is going on....
In a cycle like this:
while { 1 } {
kill_particle_motion
kill_particle_forces
save_positions
if { [catch { integrate 20 } res ] } {
invalidate_system
kill_particle_motion
kill_particle_forces
load_positions
integrate 0
}
}
the [integrate 0] reports that forces are NaN (it's not the first
iteration in the while loop, the [ integrate 20 ] is successful for
some time before the crash)
Am I missing something? when I do [integrate 0], all positions,
velocities and forces should (I think) be the same as when the
integration was successful for the last time...
Any advice is greatly appreciated...
Kind Regards,
Marcello
--
Institut für Computergestützte Biologische Chemie
University of Vienna
PGP public key on MIT server http://goo.gl/zlIZix
- [ESPResSo-users] question on restarting after crash,
Marcello Sega <=