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[ESPResSo-users] ERROR: Interaction range is larger than the local box s
From: |
Clemens Jochum |
Subject: |
[ESPResSo-users] ERROR: Interaction range is larger than the local box size |
Date: |
Tue, 1 May 2018 13:22:26 +0200 |
User-agent: |
Mozilla/5.0 (X11; Linux x86_64; rv:52.0) Gecko/20100101 Thunderbird/52.7.0 |
Dear all,
I recently updated to the newest development version of ESPResSo and now
my script returns an error when initializing the electrostatic
interaction via P3M method.
My line of code:
p3m = P3M(prefactor = sysParams['electrostatics']['preFactor'], accuracy
= simParams['P3M']['accuracy'], r_cut = simParams['P3M']['r_cut'], mesh
= simParams['P3M']['mesh'], tune = True)
Returned error:
ERROR: box_l in direction 0 is too small
ERROR: box_l in direction 1 is too small
ERROR: box_l in direction 2 is too small
ERROR: interaction range 316.923 in direction 0 is larger than the local
box size 309.423
ERROR: interaction range 316.923 in direction 1 is larger than the local
box size 309.423
ERROR: interaction range 316.923 in direction 2 is larger than the local
box size 309.423
Is there a way to avoid this problem without reducing the number of
nodes ( and thus increasing the local box size?)
Best,
Clemens
- [ESPResSo-users] ERROR: Interaction range is larger than the local box size,
Clemens Jochum <=